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

Systemtic Name: 5-(4-butoxyphenyl)-7-ethyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-ethyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-ethyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-ethyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-ethyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C27H29N3O2 MolecularWeight: 427.53806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2/c1-4-6-17-32-23-14-8-20(9-15-23)26-24-18-19(5-2)7-16-25(24)28-27(30-29-26)21-10-12-22(31-3)13-11-21/h7-16,18,29H,4-6,17H2,1-3H3