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

Systemtic Name: 2-(4-butoxyphenyl)-8-ethoxy-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-butoxyphenyl)-8-ethoxy-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(4-butoxyphenyl)-8-ethoxy-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 2-(4-butoxyphenyl)-8-ethoxy-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-butoxyphenyl)-8-ethoxy-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3/c1-4-6-17-33-22-13-9-20(10-14-22)27-29-25-18-23(32-5-2)15-16-24(25)28-26(30-27)19-7-11-21(31-3)12-8-19/h7-16,18H,4-6,17H2,1-3H3,(H,28,29,30)