7-bromanyl-5-(2-chlorophenyl)-3-[(3-chlorophenyl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-5-(2-chlorophenyl)-3-[(3-chlorophenyl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-3-(3-chloroanilino)-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7-bromo-3-(3-chloroanilino)-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-3-(3-chloroanilino)-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-3-(3-chloroanilino)-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C21H14BrCl2N3O MolecularWeight: 475.16536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)NC4=CC(=CC=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)NC4=CC(=CC=C4)Cl)Cl

InChI

InChI=1S/C21H14BrCl2N3O/c22-12-8-9-18-16(10-12)19(15-6-1-2-7-17(15)24)27-20(21(28)26-18)25-14-5-3-4-13(23)11-14/h1-11,20,25H,(H,26,28)