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

Systemtic Name: 1-[7-chloranyl-3-(3,5-dimethylphenyl)-2-oxidanylidene-4-(2-piperidin-2-ylethoxy)-1H-quinolin-6-yl]-3-pyrimidin-2-yl-urea Openeye Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-(2-piperidyl)ethoxy]-1H-quinolin-6-yl]-3-pyrimidin-2-yl-urea CAS Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-(2-piperidinyl)ethoxy]-1H-quinolin-6-yl]-3-(2-pyrimidinyl)urea IUPAC Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-(2-piperidin-2-ylethoxy)-1H-quinolin-6-yl]-3-pyrimidin-2-ylurea Traditional Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-keto-4-[2-(2-piperidyl)ethoxy]-1H-quinolin-6-yl]-3-(2-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=CC=N4)OCCC5CCCCN5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)NC(=O)NC4=NC=CC=N4)OCCC5CCCCN5)C

InChI

InChI=1S/C29H31ClN6O3/c1-17-12-18(2)14-19(13-17)25-26(39-11-7-20-6-3-4-8-31-20)21-15-24(22(30)16-23(21)34-27(25)37)35-29(38)36-28-32-9-5-10-33-28/h5,9-10,12-16,20,31H,3-4,6-8,11H2,1-2H3,(H,34,37)(H2,32,33,35,36,38)