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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(cyclopentylmethylamino)methyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[(cyclopentylmethylamino)methyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(cyclopentylmethylamino)methyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(cyclopentylmethylamino)methyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[(cyclopentylmethylamino)methyl]quinoline-6-carbonitrile Formula: C25H27ClN4O MolecularWeight: 434.96108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNCC4CCCC4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNCC4CCCC4)C#N)Cl

InChI

InChI=1S/C25H27ClN4O/c1-31-24-9-7-19(11-22(24)26)14-30-25-20(15-28-13-17-4-2-3-5-17)16-29-23-8-6-18(12-27)10-21(23)25/h6-11,16-17,28H,2-5,13-15H2,1H3,(H,29,30)