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

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

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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)OCC

Isomeric SMILES

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

InChI

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