1-(3,4-dimethylphenyl)-5-oxidanylidene-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)-5-oxidanylidene-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]pyrrolidine-3-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(3,4-dimethylphenyl)-5-oxo-N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]-3-pyrrolidinecarboxamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-1-(3,4-dimethylphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C31H38N4O2S MolecularWeight: 530.72402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC(C)C(C3=CC=CS3)N4CCN(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC(C)C(C3=CC=CS3)N4CCN(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C31H38N4O2S/c1-22-11-12-27(18-23(22)2)35-21-26(19-29(35)36)31(37)32-24(3)30(28-10-7-17-38-28)34-15-13-33(14-16-34)20-25-8-5-4-6-9-25/h4-12,17-18,24,26,30H,13-16,19-21H2,1-3H3,(H,32,37)