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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C)C4=CC(=C(C=C4)OCC)OCC

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C)C4=CC(=C(C=C4)OCC)OCC

InChI

InChI=1S/C27H29N3O2/c1-5-19-10-14-23-22(16-19)26(21-13-15-24(31-6-2)25(17-21)32-7-3)29-30-27(28-23)20-11-8-18(4)9-12-20/h8-17,29H,5-7H2,1-4H3