methyl 4-(8-bromanyl-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoate

Systemtic Name: methyl 4-(8-bromanyl-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoate Openeye Name: methyl 4-(8-bromo-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoate CAS Name: 4-(8-bromo-11-methyl-6-benzo[b][1,4]benzodiazepinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(8-bromo-11-methylbenzo[b][1,4]benzodiazepin-6-yl)benzoate Traditional Name: 4-(8-bromo-11-methyl-benzo[b][1,4]benzodiazepin-6-yl)benzoic acid methyl ester Formula: C22H17BrN2O2 MolecularWeight: 421.28658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)C(=NC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)C(=NC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H17BrN2O2/c1-25-19-12-11-16(23)13-17(19)21(24-18-5-3-4-6-20(18)25)14-7-9-15(10-8-14)22(26)27-2/h3-13H,1-2H3