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

Systemtic Name: 4-[1-cyclohexylcarbonyl-4-(4-fluorophenyl)-3-(3-methylphenyl)carbonyl-5-piperazin-1-ylcarbonyl-pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 4-[1-(cyclohexanecarbonyl)-4-(4-fluorophenyl)-3-(3-methylbenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile CAS Name: 4-[1-[cyclohexyl(oxo)methyl]-4-(4-fluorophenyl)-3-[(3-methylphenyl)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-2-pyrrolidinyl]benzonitrile IUPAC Name: 4-[1-(cyclohexanecarbonyl)-4-(4-fluorophenyl)-3-(3-methylbenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Traditional Name: 4-[1-(cyclohexanecarbonyl)-4-(4-fluorophenyl)-3-m-toluoyl-5-(piperazine-1-carbonyl)pyrrolidin-2-yl]benzonitrile Formula: C37H39FN4O3 MolecularWeight: 606.728963

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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)C4CCCCC4)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)C4CCCCC4)C(=O)N5CCNCC5)C6=CC=C(C=C6)F

InChI

InChI=1S/C37H39FN4O3/c1-24-6-5-9-29(22-24)35(43)32-31(26-14-16-30(38)17-15-26)34(37(45)41-20-18-40-19-21-41)42(36(44)28-7-3-2-4-8-28)33(32)27-12-10-25(23-39)11-13-27/h5-6,9-17,22,28,31-34,40H,2-4,7-8,18-21H2,1H3