7-chloranyl-5-(3,4-diethoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-chloranyl-5-(3,4-diethoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C25H24ClN3O2 MolecularWeight: 433.92996

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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)C)Cl)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O2/c1-4-30-22-13-10-18(14-23(22)31-5-2)24-20-15-19(26)11-12-21(20)27-25(29-28-24)17-8-6-16(3)7-9-17/h6-15,28H,4-5H2,1-3H3