3-azanyl-6-cyclohexyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one

Systemtic Name: 3-azanyl-6-cyclohexyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one Openeye Name: 3-amino-6-cyclohexyl-2-[4-[4-(2-quinolyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one CAS Name: 3-amino-6-cyclohexyl-2-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]-5,6,7,8-tetrahydroquinazolin-4-one IUPAC Name: 3-amino-6-cyclohexyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydroquinazolin-4-one Traditional Name: 3-amino-6-cyclohexyl-2-[4-[4-(2-quinolyl)piperazino]butyl]-5,6,7,8-tetrahydroquinazolin-4-one Formula: C31H42N6O MolecularWeight: 514.70478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCC3=C(C2)C(=O)N(C(=N3)CCCCN4CCN(CC4)C5=NC6=CC=CC=C6C=C5)N

Isomeric SMILES

C1CCC(CC1)C2CCC3=C(C2)C(=O)N(C(=N3)CCCCN4CCN(CC4)C5=NC6=CC=CC=C6C=C5)N

InChI

InChI=1S/C31H42N6O/c32-37-30(34-28-15-13-25(22-26(28)31(37)38)23-8-2-1-3-9-23)12-6-7-17-35-18-20-36(21-19-35)29-16-14-24-10-4-5-11-27(24)33-29/h4-5,10-11,14,16,23,25H,1-3,6-9,12-13,15,17-22,32H2