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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-[3-(2-ketopyrrolidino)propyl]quinoline-3-carboxamide Formula: C26H26ClN5O3 MolecularWeight: 491.96934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCCN4CCCC4=O)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCCN4CCCC4=O)C#N)Cl

InChI

InChI=1S/C26H26ClN5O3/c1-35-23-8-6-18(13-21(23)27)15-31-25-19-12-17(14-28)5-7-22(19)30-16-20(25)26(34)29-9-3-11-32-10-2-4-24(32)33/h5-8,12-13,16H,2-4,9-11,15H2,1H3,(H,29,34)(H,30,31)