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

Systemtic Name: 4-[1-cyclopentylcarbonyl-4-(4-fluorophenyl)-3-(3-methylphenyl)carbonyl-5-piperazin-1-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 4-[1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)-3-(3-methylbenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile CAS Name: 4-[1-[cyclopentyl(oxo)methyl]-4-(4-fluorophenyl)-3-[(3-methylphenyl)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-2-pyrrolidinyl]benzonitrile IUPAC Name: 4-[1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)-3-(3-methylbenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Traditional Name: 4-[1-(cyclopentanecarbonyl)-4-(4-fluorophenyl)-3-m-toluoyl-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Formula: C36H37FN4O3 MolecularWeight: 592.702383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4CCCC4)C(=O)N5CCNCC5)C6=CC=C(C=C6)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4CCCC4)C(=O)N5CCNCC5)C6=CC=C(C=C6)F

InChI

InChI=1S/C36H37FN4O3/c1-23-5-4-8-28(21-23)34(42)31-30(25-13-15-29(37)16-14-25)33(36(44)40-19-17-39-18-20-40)41(35(43)27-6-2-3-7-27)32(31)26-11-9-24(22-38)10-12-26/h4-5,8-16,21,27,30-33,39H,2-3,6-7,17-20H2,1H3