4-[[6-(4-cyclobutylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[6-(4-cyclobutylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[6-(4-cyclobutylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzonitrile CAS Name: 4-[[6-[(4-cyclobutyl-1-piperazinyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzonitrile IUPAC Name: 4-[[6-(4-cyclobutylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzonitrile Traditional Name: 4-[[6-(4-cyclobutylpiperazine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzonitrile Formula: C26H30N4O MolecularWeight: 414.5426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCN(CC2)C(=O)C3=CC4=C(CN(CC4)CC5=CC=C(C=C5)C#N)C=C3

Isomeric SMILES

C1CC(C1)N2CCN(CC2)C(=O)C3=CC4=C(CN(CC4)CC5=CC=C(C=C5)C#N)C=C3

InChI

InChI=1S/C26H30N4O/c27-17-20-4-6-21(7-5-20)18-28-11-10-22-16-23(8-9-24(22)19-28)26(31)30-14-12-29(13-15-30)25-2-1-3-25/h4-9,16,25H,1-3,10-15,18-19H2