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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(3-oxidanylpropylamino)methyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[(3-hydroxypropylamino)methyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(3-hydroxypropylamino)methyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(3-hydroxypropylamino)methyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[(3-hydroxypropylamino)methyl]quinoline-6-carbonitrile Formula: C22H23ClN4O2 MolecularWeight: 410.89662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNCCCO)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNCCCO)C#N)Cl

InChI

InChI=1S/C22H23ClN4O2/c1-29-21-6-4-16(10-19(21)23)12-27-22-17(13-25-7-2-8-28)14-26-20-5-3-15(11-24)9-18(20)22/h3-6,9-10,14,25,28H,2,7-8,12-13H2,1H3,(H,26,27)