1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4-nitrophenyl)ethane-1,2-dione

Systemtic Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4-nitrophenyl)ethane-1,2-dione Openeye Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4-nitrophenyl)ethane-1,2-dione CAS Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4-nitrophenyl)ethane-1,2-dione IUPAC Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4-nitrophenyl)ethane-1,2-dione Traditional Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4-nitrophenyl)ethane-1,2-dione Formula: C27H23N5O4 MolecularWeight: 481.50262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C27H23N5O4/c33-26(20-6-9-24(10-7-20)32(35)36)27(34)31-13-12-30(17-23-15-28-18-29-23)25-11-8-21(14-22(25)16-31)19-4-2-1-3-5-19/h1-11,14-15,18H,12-13,16-17H2,(H,28,29)