5-(3,4-diethoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OCC)OCC

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OCC)OCC

InChI

InChI=1S/C27H29N3O4/c1-5-32-21-13-14-23-22(17-21)26(19-10-15-24(33-6-2)25(16-19)34-7-3)29-30-27(28-23)18-8-11-20(31-4)12-9-18/h8-17,29H,5-7H2,1-4H3