N-[1-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-4-yl]benzamide

Systemtic Name: N-[1-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]piperidin-4-yl]benzamide Openeye Name: N-[1-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]-4-piperidyl]benzamide CAS Name: N-[1-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[2-[(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]-4-piperidyl]benzamide Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCC(CC2)NC(=O)C3=CC=CC=C3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCC(CC2)NC(=O)C3=CC=CC=C3)C4CCCCC4)C

InChI

InChI=1S/C27H35N5O2/c1-19-20(2)32(23-11-7-4-8-12-23)26(24(19)17-28)30-25(33)18-31-15-13-22(14-16-31)29-27(34)21-9-5-3-6-10-21/h3,5-6,9-10,22-23H,4,7-8,11-16,18H2,1-2H3,(H,29,34)(H,30,33)