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

Systemtic Name: 2-chloranyl-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(3-oxidanylpiperidin-1-yl)methyl]quinoline-6-carbonitrile Openeye Name: 2-chloro-4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[(3-hydroxy-1-piperidyl)methyl]quinoline-6-carbonitrile CAS Name: 2-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(3-hydroxy-1-piperidinyl)methyl]-6-quinolinecarbonitrile IUPAC Name: 2-chloro-4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(3-hydroxypiperidin-1-yl)methyl]quinoline-6-carbonitrile Traditional Name: 2-chloro-4-[(3-chloro-4-methoxy-benzyl)amino]-3-[(3-hydroxypiperidino)methyl]quinoline-6-carbonitrile Formula: C24H24Cl2N4O2 MolecularWeight: 471.37896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=NC3=C2C=C(C=C3)C#N)Cl)CN4CCCC(C4)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=NC3=C2C=C(C=C3)C#N)Cl)CN4CCCC(C4)O)Cl

InChI

InChI=1S/C24H24Cl2N4O2/c1-32-22-7-5-16(10-20(22)25)12-28-23-18-9-15(11-27)4-6-21(18)29-24(26)19(23)14-30-8-2-3-17(31)13-30/h4-7,9-10,17,31H,2-3,8,12-14H2,1H3,(H,28,29)