N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)acetamide Formula: C26H35N5O MolecularWeight: 433.589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)C4CCCC4)C

InChI

InChI=1S/C26H35N5O/c1-20-21(2)31(23-11-6-7-12-23)26(24(20)17-27)28-25(32)19-30-14-8-13-29(15-16-30)18-22-9-4-3-5-10-22/h3-5,9-10,23H,6-8,11-16,18-19H2,1-2H3,(H,28,32)