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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H31N5O/c1-21-22(2)32(19-24-11-7-4-8-12-24)27(25(21)17-28)29-26(33)20-31-15-13-30(14-16-31)18-23-9-5-3-6-10-23/h3-12H,13-16,18-20H2,1-2H3,(H,29,33)