2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one

Systemtic Name: 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Openeye Name: 2-[4-(4-pyridylmethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one CAS Name: 2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one IUPAC Name: 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Traditional Name: 2-[4-(4-pyridylmethyl)piperazino]-5,6,7,8-tetrahydro-1H-quinazolin-4-one Formula: C18H23N5O MolecularWeight: 325.40812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N=C(N2)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=O)N=C(N2)N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C18H23N5O/c24-17-15-3-1-2-4-16(15)20-18(21-17)23-11-9-22(10-12-23)13-14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,20,21,24)