2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-methylphenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-methylphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(p-tolyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-methylphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(4-methylphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 2-(3,4-diethoxyphenyl)-8-ethyl-4-(p-tolyl)-1H-1,3,5-benzotriazepine Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OCC)OCC)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OCC)OCC)C4=CC=C(C=C4)C

InChI

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