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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[2-(1-pyrrolidinyl)ethyl]-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-(2-pyrrolidinoethyl)quinoline-3-carboxamide Formula: C25H26ClN5O2 MolecularWeight: 463.95924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCN4CCCC4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCN4CCCC4)C#N)Cl

InChI

InChI=1S/C25H26ClN5O2/c1-33-23-7-5-18(13-21(23)26)15-30-24-19-12-17(14-27)4-6-22(19)29-16-20(24)25(32)28-8-11-31-9-2-3-10-31/h4-7,12-13,16H,2-3,8-11,15H2,1H3,(H,28,32)(H,29,30)