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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNC4CCCCC4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNC4CCCCC4)C#N)Cl

InChI

InChI=1S/C25H27ClN4O/c1-31-24-10-8-18(12-22(24)26)14-30-25-19(15-28-20-5-3-2-4-6-20)16-29-23-9-7-17(13-27)11-21(23)25/h7-12,16,20,28H,2-6,14-15H2,1H3,(H,29,30)