DGB
Summary
Name: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide |
Synonyms: | FK-866 |
Formula: | C24 H29 N3 O2 |
Formal charge: | 0 |
Formula weight: | 391.506 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide |
OpenEye OEToolkits | 1.7.6 | (E)-N-[4-[1-(phenylcarbonyl)piperidin-4-yl]butyl]-3-pyridin-3-yl-prop-2-enamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(/C=C/c1cccnc1)NCCCCC2CCN(CC2)C(=O)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+ |
InChIKey | InChI | 1.03 | KPBNHDGDUADAGP-VAWYXSNFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCCCC1CCN(CC1)C(=O)c2ccccc2)\C=C\c3cccnc3 |
SMILES | CACTVS | 3.385 | O=C(NCCCCC1CCN(CC1)C(=O)c2ccccc2)C=Cc3cccnc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)C=Cc3cccnc3 |