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

Systemtic Name: 7-chloranyl-3-(3,4-dimethylphenyl)-2-oxidanylidene-4-[2-[(2S)-piperidin-2-yl]ethoxy]-N-pyrimidin-4-yl-1H-quinoline-6-carboxamide Openeye Name: 7-chloro-3-(3,4-dimethylphenyl)-2-oxo-4-[2-[(2S)-2-piperidyl]ethoxy]-N-pyrimidin-4-yl-1H-quinoline-6-carboxamide CAS Name: 7-chloro-3-(3,4-dimethylphenyl)-2-oxo-4-[2-[(2S)-2-piperidinyl]ethoxy]-N-(4-pyrimidinyl)-1H-quinoline-6-carboxamide IUPAC Name: 7-chloro-3-(3,4-dimethylphenyl)-2-oxo-4-[2-[(2S)-piperidin-2-yl]ethoxy]-N-pyrimidin-4-yl-1H-quinoline-6-carboxamide Traditional Name: 7-chloro-3-(3,4-dimethylphenyl)-2-keto-4-[2-[(2S)-2-piperidyl]ethoxy]-N-(4-pyrimidyl)-1H-quinoline-6-carboxamide Formula: C29H30ClN5O3 MolecularWeight: 532.0332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30ClN5O3/c1-17-6-7-19(13-18(17)2)26-27(38-12-9-20-5-3-4-10-32-20)22-14-21(23(30)15-24(22)34-29(26)37)28(36)35-25-8-11-31-16-33-25/h6-8,11,13-16,20,32H,3-5,9-10,12H2,1-2H3,(H,34,37)(H,31,33,35,36)/t20-/m0/s1