7-chloranyl-5-(3,4-dimethoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-chloranyl-5-(3,4-dimethoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine Openeye Name: 7-chloro-5-(3,4-dimethoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine CAS Name: 7-chloro-5-(3,4-dimethoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine IUPAC Name: 7-chloro-5-(3,4-dimethoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine Traditional Name: 7-chloro-5-(3,4-dimethoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepine Formula: C22H18ClN3O2 MolecularWeight: 391.85022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CC=C4)Cl)OC

InChI

InChI=1S/C22H18ClN3O2/c1-27-19-11-8-15(12-20(19)28-2)21-17-13-16(23)9-10-18(17)24-22(26-25-21)14-6-4-3-5-7-14/h3-13,25H,1-2H3