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

Systemtic Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-7-methoxy-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OC)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)OC)OC)OCC

InChI

InChI=1S/C26H27N3O4/c1-5-32-23-14-9-18(15-24(23)33-6-2)25-21-16-20(31-4)12-13-22(21)27-26(29-28-25)17-7-10-19(30-3)11-8-17/h7-16,28H,5-6H2,1-4H3