PDB CCD ID: | LTO |
Number of entries in BioLiP: | 1 |
Chemical formula: | C18 H23 N3 O2 |
InChI: | InChI=1S/C18H23N3O2/c22-18(20-23)6-5-14-7-10-21(11-8-14)12-9-15-13-19-17-4-2-1-3-16(15)17/h1-6,13-14,19,23H,7-12H2,(H,20,22)/b6-5+ |
InChIKey: | ULPMTANVOCUWOD-AATRIKPKSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)C=CC(=O)NO | ACDLabs 12.01 | ONC(=O)/C=C/C1CCN(CCc2c[NH]c3ccccc23)CC1 | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)/C=C/C(=O)NO | CACTVS 3.385 | ONC(=O)\C=C\C1CCN(CC1)CCc2c[nH]c3ccccc23 | CACTVS 3.385 | ONC(=O)C=CC1CCN(CC1)CCc2c[nH]c3ccccc23 |
|
Name: | (2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide |
ChEMBL: | CHEMBL5207713 |