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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-N-(2-hydroxyethyl)quinoline-3-carboxamide Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-N-(2-hydroxyethyl)quinoline-3-carboxamide CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(2-hydroxyethyl)-3-quinolinecarboxamide IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-N-(2-hydroxyethyl)quinoline-3-carboxamide Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-N-(2-hydroxyethyl)quinoline-3-carboxamide Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O3/c1-29-19-5-3-14(9-17(19)22)11-26-20-15-8-13(10-23)2-4-18(15)25-12-16(20)21(28)24-6-7-27/h2-5,8-9,12,27H,6-7,11H2,1H3,(H,24,28)(H,25,26)