N-(1,3-benzodioxol-5-ylmethyl)-7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-4-(2-piperidin-2-ylethoxy)-1H-quinoline-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-4-(2-piperidin-2-ylethoxy)-1H-quinoline-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-(2-piperidyl)ethoxy]-1H-quinoline-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-(2-piperidinyl)ethoxy]-1H-quinoline-6-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-(2-piperidin-2-ylethoxy)-1H-quinoline-6-carboxamide Traditional Name: 7-chloro-3-(3,5-dimethylphenyl)-2-keto-4-[2-(2-piperidyl)ethoxy]-N-piperonyl-1H-quinoline-6-carboxamide Formula: C33H34ClN3O5 MolecularWeight: 588.09316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)C(=O)NCC4=CC5=C(C=C4)OCO5)OCCC6CCCCN6)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)C(=O)NCC4=CC5=C(C=C4)OCO5)OCCC6CCCCN6)C

InChI

InChI=1S/C33H34ClN3O5/c1-19-11-20(2)13-22(12-19)30-31(40-10-8-23-5-3-4-9-35-23)25-15-24(26(34)16-27(25)37-33(30)39)32(38)36-17-21-6-7-28-29(14-21)42-18-41-28/h6-7,11-16,23,35H,3-5,8-10,17-18H2,1-2H3,(H,36,38)(H,37,39)