2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[4-(3-chlorophenyl)piperazino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C21H23ClN4O3 MolecularWeight: 414.88532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=CC(=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=CC(=CC=C4)Cl)OC

InChI

InChI=1S/C21H23ClN4O3/c1-28-18-11-16-17(12-19(18)29-2)23-20(24-21(16)27)13-25-6-8-26(9-7-25)15-5-3-4-14(22)10-15/h3-5,10-12H,6-9,13H2,1-2H3,(H,23,24,27)