3,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)butylamino]-5,6,7,8-tetrahydroquinazolin-4-one

Systemtic Name: 3,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)butylamino]-5,6,7,8-tetrahydroquinazolin-4-one Openeye Name: 3,6-dimethyl-2-[3-[4-(2-quinolyl)piperazin-1-yl]butylamino]-5,6,7,8-tetrahydroquinazolin-4-one CAS Name: 3,6-dimethyl-2-[3-[4-(2-quinolinyl)-1-piperazinyl]butylamino]-5,6,7,8-tetrahydroquinazolin-4-one IUPAC Name: 3,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)butylamino]-5,6,7,8-tetrahydroquinazolin-4-one Traditional Name: 3,6-dimethyl-2-[3-[4-(2-quinolyl)piperazino]butylamino]-5,6,7,8-tetrahydroquinazolin-4-one Formula: C27H36N6O MolecularWeight: 460.61434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=O)N(C(=N2)NCCC(C)N3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1CCC2=C(C1)C(=O)N(C(=N2)NCCC(C)N3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C27H36N6O/c1-19-8-10-24-22(18-19)26(34)31(3)27(30-24)28-13-12-20(2)32-14-16-33(17-15-32)25-11-9-21-6-4-5-7-23(21)29-25/h4-7,9,11,19-20H,8,10,12-18H2,1-3H3,(H,28,30)