7-chloranyl-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-6-[(pyrimidin-4-ylamino)methyl]-1H-quinolin-2-one

Systemtic Name: 7-chloranyl-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-6-[(pyrimidin-4-ylamino)methyl]-1H-quinolin-2-one Openeye Name: 7-chloro-3-(3,5-dimethylphenyl)-4-[2-(2-piperidyl)ethoxy]-6-[(pyrimidin-4-ylamino)methyl]-1H-quinolin-2-one CAS Name: 7-chloro-3-(3,5-dimethylphenyl)-4-[2-(2-piperidinyl)ethoxy]-6-[(4-pyrimidinylamino)methyl]-1H-quinolin-2-one IUPAC Name: 7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)-6-[(pyrimidin-4-ylamino)methyl]-1H-quinolin-2-one Traditional Name: 7-chloro-3-(3,5-dimethylphenyl)-4-[2-(2-piperidyl)ethoxy]-6-[(4-pyrimidylamino)methyl]carbostyril Formula: C29H32ClN5O2 MolecularWeight: 518.04968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)CNC4=NC=NC=C4)OCCC5CCCCN5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)CNC4=NC=NC=C4)OCCC5CCCCN5)C

InChI

InChI=1S/C29H32ClN5O2/c1-18-11-19(2)13-20(12-18)27-28(37-10-7-22-5-3-4-8-32-22)23-14-21(16-33-26-6-9-31-17-34-26)24(30)15-25(23)35-29(27)36/h6,9,11-15,17,22,32H,3-5,7-8,10,16H2,1-2H3,(H,35,36)(H,31,33,34)