N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[4-(2-keto-2-piperidino-ethyl)piperazino]acetamide Formula: C27H36N6O2 MolecularWeight: 476.61374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H36N6O2/c1-21-22(2)33(18-23-9-5-3-6-10-23)27(24(21)17-28)29-25(34)19-30-13-15-31(16-14-30)20-26(35)32-11-7-4-8-12-32/h3,5-6,9-10H,4,7-8,11-16,18-20H2,1-2H3,(H,29,34)