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

Systemtic Name: 8-chloranyl-2-(3,4-diethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Openeye Name: 8-chloro-2-(3,4-diethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine CAS Name: 8-chloro-2-(3,4-diethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 8-chloro-2-(3,4-diethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Traditional Name: 8-chloro-2-(3,4-diethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,3,5-benzotriazepine Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O3/c1-4-31-22-13-8-17(14-23(22)32-5-2)25-28-21-15-18(26)9-12-20(21)27-24(29-25)16-6-10-19(30-3)11-7-16/h6-15H,4-5H2,1-3H3,(H,27,28,29)