7-chloranyl-5-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-chloranyl-5-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-chloro-5-(3,4-diethoxyphenyl)-2-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C26H26ClN3O3 MolecularWeight: 463.95594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Cl)C4=CC(=C(C=C4)OCC)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Cl)C4=CC(=C(C=C4)OCC)OCC

InChI

InChI=1S/C26H26ClN3O3/c1-4-31-20-11-7-17(8-12-20)26-28-22-13-10-19(27)16-21(22)25(29-30-26)18-9-14-23(32-5-2)24(15-18)33-6-3/h7-16,29H,4-6H2,1-3H3