4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(3-oxidanylpyrrolidin-1-yl)methyl]quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(3-oxidanylpyrrolidin-1-yl)methyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[(3-hydroxypyrrolidin-1-yl)methyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(3-hydroxy-1-pyrrolidinyl)methyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(3-hydroxypyrrolidin-1-yl)methyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[(3-hydroxypyrrolidino)methyl]quinoline-6-carbonitrile Formula: C23H23ClN4O2 MolecularWeight: 422.90732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CN4CCC(C4)O)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CN4CCC(C4)O)C#N)Cl

InChI

InChI=1S/C23H23ClN4O2/c1-30-22-5-3-16(9-20(22)24)11-27-23-17(13-28-7-6-18(29)14-28)12-26-21-4-2-15(10-25)8-19(21)23/h2-5,8-9,12,18,29H,6-7,11,13-14H2,1H3,(H,26,27)