(2E)-2-[7-bromanyl-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]ethanamide

Systemtic Name: (2E)-2-[7-bromanyl-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]ethanamide Openeye Name: (2E)-2-[7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]acetamide CAS Name: (2E)-2-[7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]acetamide IUPAC Name: (2E)-2-[7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]acetamide Traditional Name: (2E)-2-[7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]acetamide Formula: C18H15BrClN3O MolecularWeight: 404.6882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl

Isomeric SMILES

CN1/C(=C/C(=O)N)/CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H15BrClN3O/c1-23-12(9-17(21)24)10-22-18(13-4-2-3-5-15(13)20)14-8-11(19)6-7-16(14)23/h2-9H,10H2,1H3,(H2,21,24)/b12-9+