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

Systemtic Name: 5-(4-butoxyphenyl)-7-ethyl-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-ethyl-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-ethyl-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-ethyl-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-ethyl-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C27H29N3O MolecularWeight: 411.53866

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O/c1-4-6-17-31-23-14-12-21(13-15-23)26-24-18-20(5-2)9-16-25(24)28-27(30-29-26)22-10-7-19(3)8-11-22/h7-16,18,29H,4-6,17H2,1-3H3