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

Systemtic Name: 5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-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)OC)C

Isomeric SMILES

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

InChI

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