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

Systemtic Name: 1-(3,4-dimethylphenyl)-5-oxidanylidene-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]pyrrolidine-3-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(3,4-dimethylphenyl)-5-oxo-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-1-(3,4-dimethylphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C31H37N5O2 MolecularWeight: 511.65778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCC(C3=CN=CC=C3)N4CCN(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NCC(C3=CN=CC=C3)N4CCN(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C31H37N5O2/c1-23-10-11-28(17-24(23)2)36-22-27(18-30(36)37)31(38)33-20-29(26-9-6-12-32-19-26)35-15-13-34(14-16-35)21-25-7-4-3-5-8-25/h3-12,17,19,27,29H,13-16,18,20-22H2,1-2H3,(H,33,38)