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

Systemtic Name: 2-(4-chlorophenyl)-7-methoxy-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-chlorophenyl)-7-methoxy-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-chlorophenyl)-7-methoxy-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-chlorophenyl)-7-methoxy-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-chlorophenyl)-7-methoxy-5-(4-propoxyphenyl)-4H-1,3,4-benzotriazepine Formula: C24H22ClN3O2 MolecularWeight: 419.90338

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C24H22ClN3O2/c1-3-14-30-19-10-6-16(7-11-19)23-21-15-20(29-2)12-13-22(21)26-24(28-27-23)17-4-8-18(25)9-5-17/h4-13,15,27H,3,14H2,1-2H3