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

Systemtic Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine CAS Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-7-methoxy-4H-1,3,4-benzotriazepine Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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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)Cl)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O3/c1-4-31-22-13-8-17(14-23(22)32-5-2)24-20-15-19(30-3)11-12-21(20)27-25(29-28-24)16-6-9-18(26)10-7-16/h6-15,28H,4-5H2,1-3H3