4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-[2-(1-piperidyl)ethyl]quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[2-(1-piperidinyl)ethyl]-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(2-piperidin-1-ylethyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-(2-piperidinoethyl)quinoline-3-carboxamide Formula: C26H28ClN5O2 MolecularWeight: 477.98582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCN4CCCCC4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCN4CCCCC4)C#N)Cl

InChI

InChI=1S/C26H28ClN5O2/c1-34-24-8-6-19(14-22(24)27)16-31-25-20-13-18(15-28)5-7-23(20)30-17-21(25)26(33)29-9-12-32-10-3-2-4-11-32/h5-8,13-14,17H,2-4,9-12,16H2,1H3,(H,29,33)(H,30,31)