3-butan-2-yl-7-chloranyl-1-[(3-nitrophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-butan-2-yl-7-chloranyl-1-[(3-nitrophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-[(3-nitrophenyl)methyl]-5-phenyl-3-sec-butyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-butan-2-yl-7-chloro-1-[(3-nitrophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-butan-2-yl-7-chloro-1-[(3-nitrophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-(3-nitrobenzyl)-5-phenyl-3-sec-butyl-3H-1,4-benzodiazepin-2-one Formula: C26H24ClN3O3 MolecularWeight: 461.94006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H24ClN3O3/c1-3-17(2)24-26(31)29(16-18-8-7-11-21(14-18)30(32)33)23-13-12-20(27)15-22(23)25(28-24)19-9-5-4-6-10-19/h4-15,17,24H,3,16H2,1-2H3