6-methyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]quinoline-3-carbonitrile

Systemtic Name: 6-methyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]quinoline-3-carbonitrile Openeye Name: 6-methyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 6-methyl-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 6-methyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 6-methyl-2-(4-p-toluoylpiperazino)quinoline-3-carbonitrile Formula: C23H22N4O MolecularWeight: 370.44698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=C(C=C4)C)C=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=C(C=C4)C)C=C3C#N

InChI

InChI=1S/C23H22N4O/c1-16-3-6-18(7-4-16)23(28)27-11-9-26(10-12-27)22-20(15-24)14-19-13-17(2)5-8-21(19)25-22/h3-8,13-14H,9-12H2,1-2H3