4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-[3-(2-methyl-1-piperidyl)propyl]quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[3-(2-methyl-1-piperidinyl)propyl]-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-[3-(2-methylpiperidino)propyl]quinoline-3-carboxamide Formula: C28H32ClN5O2 MolecularWeight: 506.03898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)C2=CN=C3C=CC(=CC3=C2NCC4=CC(=C(C=C4)OC)Cl)C#N

Isomeric SMILES

CC1CCCCN1CCCNC(=O)C2=CN=C3C=CC(=CC3=C2NCC4=CC(=C(C=C4)OC)Cl)C#N

InChI

InChI=1S/C28H32ClN5O2/c1-19-6-3-4-12-34(19)13-5-11-31-28(35)23-18-32-25-9-7-20(16-30)14-22(25)27(23)33-17-21-8-10-26(36-2)24(29)15-21/h7-10,14-15,18-19H,3-6,11-13,17H2,1-2H3,(H,31,35)(H,32,33)