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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(4-ethanoyl-1,4-diazepan-1-yl)ethanamide Openeye Name: 2-(4-acetyl-1,4-diazepan-1-yl)-N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)acetamide CAS Name: 2-(4-acetyl-1,4-diazepan-1-yl)-N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]acetamide IUPAC Name: 2-(4-acetyl-1,4-diazepan-1-yl)-N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)acetamide Traditional Name: 2-(4-acetyl-1,4-diazepan-1-yl)-N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)acetamide Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O2/c1-17-18(2)28(15-20-8-5-4-6-9-20)23(21(17)14-24)25-22(30)16-26-10-7-11-27(13-12-26)19(3)29/h4-6,8-9H,7,10-13,15-16H2,1-3H3,(H,25,30)