2-[7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-4-(2-piperidin-2-ylethoxy)-1H-quinolin-6-yl]-N-pyrimidin-4-yl-ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-4-(2-piperidin-2-ylethoxy)-1H-quinolin-6-yl]-N-pyrimidin-4-yl-ethanamide Openeye Name: 2-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-(2-piperidyl)ethoxy]-1H-quinolin-6-yl]-N-pyrimidin-4-yl-acetamide CAS Name: 2-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-(2-piperidinyl)ethoxy]-1H-quinolin-6-yl]-N-(4-pyrimidinyl)acetamide IUPAC Name: 2-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-(2-piperidin-2-ylethoxy)-1H-quinolin-6-yl]-N-pyrimidin-4-ylacetamide Traditional Name: 2-[7-chloro-3-(3,5-dimethylphenyl)-2-keto-4-[2-(2-piperidyl)ethoxy]-1H-quinolin-6-yl]-N-(4-pyrimidyl)acetamide Formula: C30H32ClN5O3 MolecularWeight: 546.05978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)CC(=O)NC4=NC=NC=C4)OCCC5CCCCN5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)CC(=O)NC4=NC=NC=C4)OCCC5CCCCN5)C

InChI

InChI=1S/C30H32ClN5O3/c1-18-11-19(2)13-21(12-18)28-29(39-10-7-22-5-3-4-8-33-22)23-14-20(24(31)16-25(23)35-30(28)38)15-27(37)36-26-6-9-32-17-34-26/h6,9,11-14,16-17,22,33H,3-5,7-8,10,15H2,1-2H3,(H,35,38)(H,32,34,36,37)