cyclohexyl-[4-(4-fluorophenyl)-3-(3-methylphenyl)carbonyl-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]methanone

Systemtic Name: cyclohexyl-[4-(4-fluorophenyl)-3-(3-methylphenyl)carbonyl-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]methanone Openeye Name: cyclohexyl-[4-(4-fluorophenyl)-3-(3-methylbenzoyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]methanone CAS Name: cyclohexyl-[4-(4-fluorophenyl)-3-[(3-methylphenyl)-oxomethyl]-2-(3-nitrophenyl)-5-[oxo(1-piperazinyl)methyl]-1-pyrrolidinyl]methanone IUPAC Name: cyclohexyl-[4-(4-fluorophenyl)-3-(3-methylbenzoyl)-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]methanone Traditional Name: cyclohexyl-[4-(4-fluorophenyl)-3-m-toluoyl-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)pyrrolidino]methanone Formula: C36H39FN4O5 MolecularWeight: 626.717063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)[N+](=O)[O-])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(=CC=C3)[N+](=O)[O-])C(=O)C4CCCCC4)C(=O)N5CCNCC5)C6=CC=C(C=C6)F

InChI

InChI=1S/C36H39FN4O5/c1-23-7-5-11-27(21-23)34(42)31-30(24-13-15-28(37)16-14-24)33(36(44)39-19-17-38-18-20-39)40(35(43)25-8-3-2-4-9-25)32(31)26-10-6-12-29(22-26)41(45)46/h5-7,10-16,21-22,25,30-33,38H,2-4,8-9,17-20H2,1H3