8-chloranyl-2-(4-methylphenyl)-4-phenyl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-chloranyl-2-(4-methylphenyl)-4-phenyl-1H-1,3,5-benzotriazepine Openeye Name: 8-chloro-4-phenyl-2-(p-tolyl)-1H-1,3,5-benzotriazepine CAS Name: 8-chloro-2-(4-methylphenyl)-4-phenyl-1H-1,3,5-benzotriazepine IUPAC Name: 8-chloro-2-(4-methylphenyl)-4-phenyl-1H-1,3,5-benzotriazepine Traditional Name: 8-chloro-4-phenyl-2-(p-tolyl)-1H-1,3,5-benzotriazepine Formula: C21H16ClN3 MolecularWeight: 345.82484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN3/c1-14-7-9-16(10-8-14)21-24-19-13-17(22)11-12-18(19)23-20(25-21)15-5-3-2-4-6-15/h2-13H,1H3,(H,23,24,25)