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

Systemtic Name: 5-(4-butoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C25H25N3O MolecularWeight: 383.4855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O/c1-3-4-17-29-21-15-13-19(14-16-21)24-22-7-5-6-8-23(22)26-25(28-27-24)20-11-9-18(2)10-12-20/h5-16,27H,3-4,17H2,1-2H3