2-(4-bromophenyl)-7-methyl-5-(phenoxymethyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-7-methyl-5-(phenoxymethyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-7-methyl-5-(phenoxymethyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-7-methyl-5-(phenoxymethyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-7-methyl-5-(phenoxymethyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-methyl-5-(phenoxymethyl)-4H-1,3,4-benzotriazepine Formula: C22H18BrN3O MolecularWeight: 420.30182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)COC4=CC=CC=C4

InChI

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