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

Systemtic Name: N-(3-azanylpropyl)-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide Openeye Name: N-(3-aminopropyl)-4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-quinoline-3-carboxamide CAS Name: N-(3-aminopropyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-3-quinolinecarboxamide IUPAC Name: N-(3-aminopropyl)-4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanoquinoline-3-carboxamide Traditional Name: N-(3-aminopropyl)-4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-quinoline-3-carboxamide Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O2/c1-30-20-6-4-15(10-18(20)23)12-28-21-16-9-14(11-25)3-5-19(16)27-13-17(21)22(29)26-8-2-7-24/h3-6,9-10,13H,2,7-8,12,24H2,1H3,(H,26,29)(H,27,28)