4-(4-chlorophenyl)-2-(4-ethoxyphenyl)-8-ethyl-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-chlorophenyl)-2-(4-ethoxyphenyl)-8-ethyl-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-chlorophenyl)-2-(4-ethoxyphenyl)-8-ethyl-1H-1,3,5-benzotriazepine CAS Name: 4-(4-chlorophenyl)-2-(4-ethoxyphenyl)-8-ethyl-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-chlorophenyl)-2-(4-ethoxyphenyl)-8-ethyl-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-chlorophenyl)-8-ethyl-2-p-phenetyl-1H-1,3,5-benzotriazepine Formula: C24H22ClN3O MolecularWeight: 403.90398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)OCC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)OCC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H22ClN3O/c1-3-16-5-14-21-22(15-16)27-24(18-8-12-20(13-9-18)29-4-2)28-23(26-21)17-6-10-19(25)11-7-17/h5-15H,3-4H2,1-2H3,(H,26,27,28)