5-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-7-methyl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-7-methyl-2-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C)C4=CC(=C(C=C4)OCC)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C)C4=CC(=C(C=C4)OCC)OCC

InChI

InChI=1S/C27H29N3O3/c1-5-31-21-12-9-19(10-13-21)27-28-23-14-8-18(4)16-22(23)26(29-30-27)20-11-15-24(32-6-2)25(17-20)33-7-3/h8-17,29H,5-7H2,1-4H3