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

Systemtic Name: 2-cyclohexyl-7-(1,4-diazepan-1-ylcarbonyl)-1-(3-nitrophenyl)carbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 2-cyclohexyl-7-(1,4-diazepane-1-carbonyl)-1-(3-nitrobenzoyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 2-cyclohexyl-7-[1,4-diazepan-1-yl(oxo)methyl]-1-[(3-nitrophenyl)-oxomethyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 2-cyclohexyl-7-(1,4-diazepane-1-carbonyl)-1-(3-nitrobenzoyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 2-cyclohexyl-7-(1,4-diazepane-1-carbonyl)-1-(3-nitrobenzoyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C28H33N5O5 MolecularWeight: 519.59212

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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)N5CCCNCC5

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)C(=O)N5CCCNCC5

InChI

InChI=1S/C28H33N5O5/c34-26-18-25(19-6-2-1-3-7-19)32(28(36)20-8-4-9-22(16-20)33(37)38)24-11-10-21(17-23(24)30-26)27(35)31-14-5-12-29-13-15-31/h4,8-11,16-17,19,25,29H,1-3,5-7,12-15,18H2,(H,30,34)