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

Systemtic Name: 3-butan-2-yl-7-chloranyl-5-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-3-sec-butyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-butan-2-yl-7-chloro-5-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-butan-2-yl-7-chloro-5-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-(2-chlorophenyl)-1-(3-nitrobenzyl)-3-sec-butyl-3H-1,4-benzodiazepin-2-one Formula: C26H23Cl2N3O3 MolecularWeight: 496.38512

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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=C3Cl)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=C3Cl)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23Cl2N3O3/c1-3-16(2)24-26(32)30(15-17-7-6-8-19(13-17)31(33)34)23-12-11-18(27)14-21(23)25(29-24)20-9-4-5-10-22(20)28/h4-14,16,24H,3,15H2,1-2H3