4-[3-(4-methylphenyl)carbonyl-1-(phenylcarbonyl)-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(4-methylphenyl)carbonyl-1-(phenylcarbonyl)-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 4-[1-benzoyl-3-(4-methylbenzoyl)-5-(piperazine-1-carbonyl)-4-(2-thienyl)pyrrolidin-2-yl]benzonitrile CAS Name: 4-[1-benzoyl-3-[(4-methylphenyl)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-4-thiophen-2-yl-2-pyrrolidinyl]benzonitrile IUPAC Name: 4-[1-benzoyl-3-(4-methylbenzoyl)-5-(piperazine-1-carbonyl)-4-thiophen-2-ylpyrrolidin-2-yl]benzonitrile Traditional Name: 4-[1-benzoyl-5-(piperazine-1-carbonyl)-3-p-toluoyl-4-(2-thienyl)pyrrolidin-2-yl]benzonitrile Formula: C35H32N4O3S MolecularWeight: 588.71858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4=CC=CC=C4)C(=O)N5CCNCC5)C6=CC=CS6

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4=CC=CC=C4)C(=O)N5CCNCC5)C6=CC=CS6

InChI

InChI=1S/C35H32N4O3S/c1-23-9-13-26(14-10-23)33(40)30-29(28-8-5-21-43-28)32(35(42)38-19-17-37-18-20-38)39(34(41)27-6-3-2-4-7-27)31(30)25-15-11-24(22-36)12-16-25/h2-16,21,29-32,37H,17-20H2,1H3