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

Systemtic Name: 1-[7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-4-(2-piperidin-2-ylethoxy)-1H-quinolin-6-yl]-3-pyrimidin-4-yl-urea Openeye Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-(2-piperidyl)ethoxy]-1H-quinolin-6-yl]-3-pyrimidin-4-yl-urea CAS Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-(2-piperidinyl)ethoxy]-1H-quinolin-6-yl]-3-(4-pyrimidinyl)urea IUPAC Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-(2-piperidin-2-ylethoxy)-1H-quinolin-6-yl]-3-pyrimidin-4-ylurea Traditional Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-keto-4-[2-(2-piperidyl)ethoxy]-1H-quinolin-6-yl]-3-(4-pyrimidyl)urea Formula: C29H31ClN6O3 MolecularWeight: 547.04784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClN6O3/c1-17-11-18(2)13-19(12-17)26-27(39-10-7-20-5-3-4-8-32-20)21-14-24(22(30)15-23(21)34-28(26)37)35-29(38)36-25-6-9-31-16-33-25/h6,9,11-16,20,32H,3-5,7-8,10H2,1-2H3,(H,34,37)(H2,31,33,35,36,38)