1-[3,4-bis(fluoranyl)phenyl]carbonyl-2-cyclohexyl-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]carbonyl-2-cyclohexyl-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 2-cyclohexyl-1-(3,4-difluorobenzoyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 2-cyclohexyl-1-[(3,4-difluorophenyl)-oxomethyl]-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 2-cyclohexyl-1-(3,4-difluorobenzoyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 2-cyclohexyl-1-(3,4-difluorobenzoyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C27H30F2N4O3 MolecularWeight: 496.548906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=C(C=C4)F)F)C=CC(=C3)C(=O)N5CCNCC5

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=C(C=C4)F)F)C=CC(=C3)C(=O)N5CCNCC5

InChI

InChI=1S/C27H30F2N4O3/c28-20-8-6-18(14-21(20)29)27(36)33-23-9-7-19(26(35)32-12-10-30-11-13-32)15-22(23)31-25(34)16-24(33)17-4-2-1-3-5-17/h6-9,14-15,17,24,30H,1-5,10-13,16H2,(H,31,34)