5-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OC)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OC)C)OCC

InChI

InChI=1S/C26H27N3O3/c1-5-31-23-14-10-19(16-24(23)32-6-2)25-21-15-17(3)7-13-22(21)27-26(29-28-25)18-8-11-20(30-4)12-9-18/h7-16,28H,5-6H2,1-4H3