6-chloranyl-2-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]methyl]-1H-quinazolin-4-one Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C22H21ClN4O4/c23-14-5-6-16-15(11-14)21(28)25-20(24-16)12-26-7-9-27(10-8-26)22(29)19-13-30-17-3-1-2-4-18(17)31-19/h1-6,11,19H,7-10,12-13H2,(H,24,25,28)