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

Systemtic Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-chlorophenyl)-5-(3,4-diethoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C24H22ClN3O2 MolecularWeight: 419.90338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O2/c1-3-29-21-14-11-17(15-22(21)30-4-2)23-19-7-5-6-8-20(19)26-24(28-27-23)16-9-12-18(25)13-10-16/h5-15,27H,3-4H2,1-2H3