8-chloranyl-2-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 8-chloranyl-2-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 8-chloro-2-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 8-chloro-2-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 8-chloro-2-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 8-chloro-2-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Formula: C23H20ClN3O3 MolecularWeight: 421.8762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)NC(=N2)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)NC(=N2)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H20ClN3O3/c1-28-17-8-4-14(5-9-17)22-25-18-10-7-16(24)13-19(18)26-23(27-22)15-6-11-20(29-2)21(12-15)30-3/h4-13H,1-3H3,(H,25,26,27)