4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-(3-morpholinopropyl)quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-[3-(4-morpholinyl)propyl]-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-(3-morpholinopropyl)quinoline-3-carboxamide Formula: C26H28ClN5O3 MolecularWeight: 493.98522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCCN4CCOCC4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)NCCCN4CCOCC4)C#N)Cl

InChI

InChI=1S/C26H28ClN5O3/c1-34-24-6-4-19(14-22(24)27)16-31-25-20-13-18(15-28)3-5-23(20)30-17-21(25)26(33)29-7-2-8-32-9-11-35-12-10-32/h3-6,13-14,17H,2,7-12,16H2,1H3,(H,29,33)(H,30,31)