7-methyl-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 7-methyl-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 7-methyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 7-methyl-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 7-methyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 2-(4-isonicotinoylpiperazino)-7-methyl-quinoline-3-carbonitrile Formula: C21H19N5O MolecularWeight: 357.40846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCN(CC3)C(=O)C4=CC=NC=C4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCN(CC3)C(=O)C4=CC=NC=C4)C#N

InChI

InChI=1S/C21H19N5O/c1-15-2-3-17-13-18(14-22)20(24-19(17)12-15)25-8-10-26(11-9-25)21(27)16-4-6-23-7-5-16/h2-7,12-13H,8-11H2,1H3