2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine CAS Name: 2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Formula: C23H20ClN3O2 MolecularWeight: 405.8768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H20ClN3O2/c1-14-4-10-19-18(12-14)22(16-7-11-20(28-2)21(13-16)29-3)26-27-23(25-19)15-5-8-17(24)9-6-15/h4-13,26H,1-3H3