2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)-1-piperidyl]-N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidino]-N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)acetamide Formula: C28H37N5O2 MolecularWeight: 475.62568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCC(CC2)C(=O)N3CCCCCC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCC(CC2)C(=O)N3CCCCCC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H37N5O2/c1-21-22(2)33(19-23-10-6-5-7-11-23)27(25(21)18-29)30-26(34)20-31-16-12-24(13-17-31)28(35)32-14-8-3-4-9-15-32/h5-7,10-11,24H,3-4,8-9,12-17,19-20H2,1-2H3,(H,30,34)