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

Systemtic Name: 2-(4-chlorophenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-chlorophenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(4-chlorophenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 2-(4-chlorophenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-chlorophenyl)-8-ethyl-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Formula: C23H20ClN3O MolecularWeight: 389.8774

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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)Cl)C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN3O/c1-3-15-4-13-20-21(14-15)26-23(16-5-9-18(24)10-6-16)27-22(25-20)17-7-11-19(28-2)12-8-17/h4-14H,3H2,1-2H3,(H,25,26,27)