7-chloranyl-3-(4-iodanyl-3-methyl-phenyl)-2-oxidanylidene-4-[2-[(2S)-piperidin-2-yl]ethoxy]-N-pyrimidin-4-yl-1H-quinoline-6-carboxamide

Systemtic Name: 7-chloranyl-3-(4-iodanyl-3-methyl-phenyl)-2-oxidanylidene-4-[2-[(2S)-piperidin-2-yl]ethoxy]-N-pyrimidin-4-yl-1H-quinoline-6-carboxamide Openeye Name: 7-chloro-3-(4-iodo-3-methyl-phenyl)-2-oxo-4-[2-[(2S)-2-piperidyl]ethoxy]-N-pyrimidin-4-yl-1H-quinoline-6-carboxamide CAS Name: 7-chloro-3-(4-iodo-3-methylphenyl)-2-oxo-4-[2-[(2S)-2-piperidinyl]ethoxy]-N-(4-pyrimidinyl)-1H-quinoline-6-carboxamide IUPAC Name: 7-chloro-3-(4-iodo-3-methylphenyl)-2-oxo-4-[2-[(2S)-piperidin-2-yl]ethoxy]-N-pyrimidin-4-yl-1H-quinoline-6-carboxamide Traditional Name: 7-chloro-3-(4-iodo-3-methyl-phenyl)-2-keto-4-[2-[(2S)-2-piperidyl]ethoxy]-N-(4-pyrimidyl)-1H-quinoline-6-carboxamide Formula: C28H27ClIN5O3 MolecularWeight: 643.90315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)C(=O)NC4=NC=NC=C4)OCC[C@@H]5CCCCN5)I

InChI

InChI=1S/C28H27ClIN5O3/c1-16-12-17(5-6-22(16)30)25-26(38-11-8-18-4-2-3-9-32-18)20-13-19(21(29)14-23(20)34-28(25)37)27(36)35-24-7-10-31-15-33-24/h5-7,10,12-15,18,32H,2-4,8-9,11H2,1H3,(H,34,37)(H,31,33,35,36)/t18-/m0/s1