2-[[5-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]methyl]pyrimidine-4-carboximidamide

Systemtic Name: 2-[[5-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]methyl]pyrimidine-4-carboximidamide Openeye Name: 2-[[5-[1-(2,6-dimethyl-1-piperidyl)pentyl]-2-oxo-3,4-dihydro-1H-quinolin-3-yl]methyl]pyrimidine-4-carboxamidine CAS Name: 2-[[5-[1-(2,6-dimethyl-1-piperidinyl)pentyl]-2-oxo-3,4-dihydro-1H-quinolin-3-yl]methyl]-4-pyrimidinecarboximidamide IUPAC Name: 2-[[5-[1-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxo-3,4-dihydro-1H-quinolin-3-yl]methyl]pyrimidine-4-carboximidamide Traditional Name: 2-[[5-[1-(2,6-dimethylpiperidino)pentyl]-2-keto-3,4-dihydro-1H-quinolin-3-yl]methyl]pyrimidine-4-carboxamidine Formula: C27H38N6O MolecularWeight: 462.63022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C2CC(C(=O)NC2=CC=C1)CC3=NC=CC(=N3)C(=N)N)N4C(CCCC4C)C

Isomeric SMILES

CCCCC(C1=C2CC(C(=O)NC2=CC=C1)CC3=NC=CC(=N3)C(=N)N)N4C(CCCC4C)C

InChI

InChI=1S/C27H38N6O/c1-4-5-12-24(33-17(2)8-6-9-18(33)3)20-10-7-11-22-21(20)15-19(27(34)32-22)16-25-30-14-13-23(31-25)26(28)29/h7,10-11,13-14,17-19,24H,4-6,8-9,12,15-16H2,1-3H3,(H3,28,29)(H,32,34)