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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[4-(m-tolyl)piperazin-1-yl]acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[4-(3-methylphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[4-(m-tolyl)piperazino]acetamide Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NC3=C(C(=C(N3CC4=CC=CC=C4)C)C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NC3=C(C(=C(N3CC4=CC=CC=C4)C)C)C#N

InChI

InChI=1S/C27H31N5O/c1-20-8-7-11-24(16-20)31-14-12-30(13-15-31)19-26(33)29-27-25(17-28)21(2)22(3)32(27)18-23-9-5-4-6-10-23/h4-11,16H,12-15,18-19H2,1-3H3,(H,29,33)