4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-(hydroxymethyl)quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-methylol-quinoline-6-carbonitrile Formula: C19H16ClN3O2 MolecularWeight: 353.80224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CO)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CO)C#N)Cl

InChI

InChI=1S/C19H16ClN3O2/c1-25-18-5-3-13(7-16(18)20)9-23-19-14(11-24)10-22-17-4-2-12(8-21)6-15(17)19/h2-7,10,24H,9,11H2,1H3,(H,22,23)