(3Z)-3-(azepan-1-ylmethylidene)-7-bromanyl-5-(2-chlorophenyl)-1-methyl-1,4-benzodiazepin-2-one

Systemtic Name: (3Z)-3-(azepan-1-ylmethylidene)-7-bromanyl-5-(2-chlorophenyl)-1-methyl-1,4-benzodiazepin-2-one Openeye Name: (3Z)-3-(azepan-1-ylmethylene)-7-bromo-5-(2-chlorophenyl)-1-methyl-1,4-benzodiazepin-2-one CAS Name: (3Z)-3-(1-azepanylmethylidene)-7-bromo-5-(2-chlorophenyl)-1-methyl-1,4-benzodiazepin-2-one IUPAC Name: (3Z)-3-(azepan-1-ylmethylidene)-7-bromo-5-(2-chlorophenyl)-1-methyl-1,4-benzodiazepin-2-one Traditional Name: (3Z)-3-(azepan-1-ylmethylene)-7-bromo-5-(2-chlorophenyl)-1-methyl-1,4-benzodiazepin-2-one Formula: C23H23BrClN3O MolecularWeight: 472.80522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)C(=NC(=CN3CCCCCC3)C1=O)C4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)C(=N/C(=C\N3CCCCCC3)/C1=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H23BrClN3O/c1-27-21-11-10-16(24)14-18(21)22(17-8-4-5-9-19(17)25)26-20(23(27)29)15-28-12-6-2-3-7-13-28/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3/b20-15-