2-(4-bromophenyl)-N-(2-methoxyphenyl)-3H-1,5-benzodiazepin-4-amine

Systemtic Name: 2-(4-bromophenyl)-N-(2-methoxyphenyl)-3H-1,5-benzodiazepin-4-amine Openeye Name: 2-(4-bromophenyl)-N-(2-methoxyphenyl)-3H-1,5-benzodiazepin-4-amine CAS Name: 2-(4-bromophenyl)-N-(2-methoxyphenyl)-3H-1,5-benzodiazepin-4-amine IUPAC Name: 2-(4-bromophenyl)-N-(2-methoxyphenyl)-3H-1,5-benzodiazepin-4-amine Traditional Name: [2-(4-bromophenyl)-3H-1,5-benzodiazepin-4-yl]-(2-methoxyphenyl)amine Formula: C22H18BrN3O MolecularWeight: 420.30182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC3=CC=CC=C3N=C(C2)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC=C1NC2=NC3=CC=CC=C3N=C(C2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3O/c1-27-21-9-5-4-8-19(21)26-22-14-20(15-10-12-16(23)13-11-15)24-17-6-2-3-7-18(17)25-22/h2-13H,14H2,1H3,(H,25,26)