4-[[4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-quinolin-7-yl]oxymethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(hydroxymethyl)piperidin-1-yl]-2-methyl-quinolin-7-yl]oxymethyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(hydroxymethyl)-1-piperidyl]-2-methyl-7-quinolyl]oxymethyl]benzonitrile CAS Name: 4-[[4-[3-(hydroxymethyl)-1-piperidinyl]-2-methyl-7-quinolinyl]oxymethyl]benzonitrile IUPAC Name: 4-[[4-[3-(hydroxymethyl)piperidin-1-yl]-2-methylquinolin-7-yl]oxymethyl]benzonitrile Traditional Name: 4-[[2-methyl-4-(3-methylolpiperidino)-7-quinolyl]oxymethyl]benzonitrile Formula: C24H25N3O2 MolecularWeight: 387.4742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C#N)C(=C1)N4CCCC(C4)CO

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C#N)C(=C1)N4CCCC(C4)CO

InChI

InChI=1S/C24H25N3O2/c1-17-11-24(27-10-2-3-20(14-27)15-28)22-9-8-21(12-23(22)26-17)29-16-19-6-4-18(13-25)5-7-19/h4-9,11-12,20,28H,2-3,10,14-16H2,1H3