7-methoxy-2-(4-methylphenyl)-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-methoxy-2-(4-methylphenyl)-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-methoxy-5-(4-propoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 7-methoxy-2-(4-methylphenyl)-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-methoxy-2-(4-methylphenyl)-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-methoxy-5-(4-propoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)C)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)C)OC

InChI

InChI=1S/C25H25N3O2/c1-4-15-30-20-11-9-18(10-12-20)24-22-16-21(29-3)13-14-23(22)26-25(28-27-24)19-7-5-17(2)6-8-19/h5-14,16,27H,4,15H2,1-3H3