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

Systemtic Name: 7-(1,4-diazepan-1-ylcarbonyl)-1-(4-nitrophenyl)carbonyl-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 7-(1,4-diazepane-1-carbonyl)-1-(4-nitrobenzoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 7-[1,4-diazepan-1-yl(oxo)methyl]-1-[(4-nitrophenyl)-oxomethyl]-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 7-(1,4-diazepane-1-carbonyl)-1-(4-nitrobenzoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 7-(1,4-diazepane-1-carbonyl)-1-(4-nitrobenzoyl)-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C28H27N5O5 MolecularWeight: 513.54448

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC3=C(C=C2)N(C(CC(=O)N3)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H27N5O5/c34-26-18-25(19-5-2-1-3-6-19)32(28(36)20-7-10-22(11-8-20)33(37)38)24-12-9-21(17-23(24)30-26)27(35)31-15-4-13-29-14-16-31/h1-3,5-12,17,25,29H,4,13-16,18H2,(H,30,34)