5-(4-nitrophenyl)-3-phenyl-1,4,5,7,8,9-hexahydro-1,2-benzodiazepin-6-one

Systemtic Name: 5-(4-nitrophenyl)-3-phenyl-1,4,5,7,8,9-hexahydro-1,2-benzodiazepin-6-one Openeye Name: 5-(4-nitrophenyl)-3-phenyl-1,4,5,7,8,9-hexahydro-1,2-benzodiazepin-6-one CAS Name: 5-(4-nitrophenyl)-3-phenyl-1,4,5,7,8,9-hexahydro-1,2-benzodiazepin-6-one IUPAC Name: 5-(4-nitrophenyl)-3-phenyl-1,4,5,7,8,9-hexahydro-1,2-benzodiazepin-6-one Traditional Name: 5-(4-nitrophenyl)-3-phenyl-1,4,5,7,8,9-hexahydro-1,2-benzodiazepin-6-one Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(CC(=NN2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C(C(CC(=NN2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C21H19N3O3/c25-20-8-4-7-18-21(20)17(14-9-11-16(12-10-14)24(26)27)13-19(23-22-18)15-5-2-1-3-6-15/h1-3,5-6,9-12,17,22H,4,7-8,13H2