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

Systemtic Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine CAS Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-7-ethoxy-4H-1,3,4-benzotriazepine Formula: C26H26ClN3O3 MolecularWeight: 463.95594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN3O3/c1-4-31-20-12-13-22-21(16-20)25(18-9-14-23(32-5-2)24(15-18)33-6-3)29-30-26(28-22)17-7-10-19(27)11-8-17/h7-16,29H,4-6H2,1-3H3