4-[[4-[1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carbonyl]piperazino]methyl]benzonitrile Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C25H28N4O2/c1-18-4-3-5-23(19(18)2)29-17-22(14-24(29)30)25(31)28-12-10-27(11-13-28)16-21-8-6-20(15-26)7-9-21/h3-9,22H,10-14,16-17H2,1-2H3