2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C22H18ClN3O2/c1-27-19-12-9-15(13-20(19)28-2)21-17-5-3-4-6-18(17)24-22(26-25-21)14-7-10-16(23)11-8-14/h3-13,25H,1-2H3