3-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-3-yl]-N-cyclohexyl-propanamide

Systemtic Name: 3-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinolin-3-yl]-N-cyclohexyl-propanamide Openeye Name: 3-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-3-quinolyl]-N-cyclohexyl-propanamide CAS Name: 3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-3-quinolinyl]-N-cyclohexylpropanamide IUPAC Name: 3-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinolin-3-yl]-N-cyclohexylpropanamide Traditional Name: 3-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-3-quinolyl]-N-cyclohexyl-propionamide Formula: C27H29ClN4O2 MolecularWeight: 476.99776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CCC(=O)NC4CCCCC4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CCC(=O)NC4CCCCC4)C#N)Cl

InChI

InChI=1S/C27H29ClN4O2/c1-34-25-11-8-19(14-23(25)28)16-31-27-20(9-12-26(33)32-21-5-3-2-4-6-21)17-30-24-10-7-18(15-29)13-22(24)27/h7-8,10-11,13-14,17,21H,2-6,9,12,16H2,1H3,(H,30,31)(H,32,33)