6,7-dimethoxy-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[4-(2-pyridylmethyl)piperazino]methyl]-1H-quinazolin-4-one Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)CC4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)CC4=CC=CC=N4)OC

InChI

InChI=1S/C21H25N5O3/c1-28-18-11-16-17(12-19(18)29-2)23-20(24-21(16)27)14-26-9-7-25(8-10-26)13-15-5-3-4-6-22-15/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,23,24,27)