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

Systemtic Name: 1-[7-chloranyl-3-(3,5-dimethylphenyl)-1-methyl-2-oxidanylidene-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]-1-methyl-3-pyrimidin-4-yl-urea Openeye Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-1-methyl-2-oxo-4-[2-(2-piperidyl)ethoxy]-6-quinolyl]-1-methyl-3-pyrimidin-4-yl-urea CAS Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-1-methyl-2-oxo-4-[2-(2-piperidinyl)ethoxy]-6-quinolinyl]-1-methyl-3-(4-pyrimidinyl)urea IUPAC Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-1-methyl-2-oxo-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]-1-methyl-3-pyrimidin-4-ylurea Traditional Name: 1-[7-chloro-3-(3,5-dimethylphenyl)-2-keto-1-methyl-4-[2-(2-piperidyl)ethoxy]-6-quinolyl]-1-methyl-3-(4-pyrimidyl)urea Formula: C31H35ClN6O3 MolecularWeight: 575.101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3N(C2=O)C)Cl)N(C)C(=O)NC4=NC=NC=C4)OCCC5CCCCN5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3N(C2=O)C)Cl)N(C)C(=O)NC4=NC=NC=C4)OCCC5CCCCN5)C

InChI

InChI=1S/C31H35ClN6O3/c1-19-13-20(2)15-21(14-19)28-29(41-12-9-22-7-5-6-10-34-22)23-16-26(24(32)17-25(23)37(3)30(28)39)38(4)31(40)36-27-8-11-33-18-35-27/h8,11,13-18,22,34H,5-7,9-10,12H2,1-4H3,(H,33,35,36,40)