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

Systemtic Name: 8-chloranyl-2-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 8-chloro-2-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 8-chloro-2-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 8-chloro-2-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 8-chloro-4-(4-methoxyphenyl)-2-p-phenetyl-1H-1,3,5-benzotriazepine Formula: C23H20ClN3O2 MolecularWeight: 405.8768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Cl)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)Cl)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H20ClN3O2/c1-3-29-19-11-6-16(7-12-19)23-26-21-14-17(24)8-13-20(21)25-22(27-23)15-4-9-18(28-2)10-5-15/h4-14H,3H2,1-2H3,(H,25,26,27)