5-(4-butoxyphenyl)-7-methoxy-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-7-methoxy-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-methoxy-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-methoxy-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-methoxy-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-methoxy-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)C)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)C)OC

InChI

InChI=1S/C26H27N3O2/c1-4-5-16-31-21-12-10-19(11-13-21)25-23-17-22(30-3)14-15-24(23)27-26(29-28-25)20-8-6-18(2)7-9-20/h6-15,17,28H,4-5,16H2,1-3H3