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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(3-oxidanylpropyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-(3-hydroxypropyl)quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(3-hydroxypropyl)-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(3-hydroxypropyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-(3-hydroxypropyl)quinoline-3-carboxamide Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O3/c1-30-20-6-4-15(10-18(20)23)12-27-21-16-9-14(11-24)3-5-19(16)26-13-17(21)22(29)25-7-2-8-28/h3-6,9-10,13,28H,2,7-8,12H2,1H3,(H,25,29)(H,26,27)