2-cyclohexyl-1-(3-nitrophenyl)carbonyl-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Systemtic Name: 2-cyclohexyl-1-(3-nitrophenyl)carbonyl-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 2-cyclohexyl-1-(3-nitrobenzoyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 2-cyclohexyl-1-[(3-nitrophenyl)-oxomethyl]-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 2-cyclohexyl-1-(3-nitrobenzoyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 2-cyclohexyl-1-(3-nitrobenzoyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C27H31N5O5 MolecularWeight: 505.56554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)C(=O)N5CCNCC5

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)C(=O)N5CCNCC5

InChI

InChI=1S/C27H31N5O5/c33-25-17-24(18-5-2-1-3-6-18)31(27(35)19-7-4-8-21(15-19)32(36)37)23-10-9-20(16-22(23)29-25)26(34)30-13-11-28-12-14-30/h4,7-10,15-16,18,24,28H,1-3,5-6,11-14,17H2,(H,29,33)