5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H25N3O3/c1-5-31-19-11-12-21-20(15-19)24(18-10-13-22(29-3)23(14-18)30-4)27-28-25(26-21)17-8-6-16(2)7-9-17/h6-15,27H,5H2,1-4H3