2-(4-butoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(4-butoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-butoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine CAS Name: 2-(4-butoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine IUPAC Name: 2-(4-butoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-butoxyphenyl)-4-(4-methoxyphenyl)-8-methyl-1H-1,3,5-benzotriazepine Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)C)C4=CC=C(C=C4)OC

InChI

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