2-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(3-fluoro-4-methoxy-benzyl)piperazino]methyl]-1H-quinazolin-4-one Formula: C21H23FN4O2 MolecularWeight: 382.431323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)F

InChI

InChI=1S/C21H23FN4O2/c1-28-19-7-6-15(12-17(19)22)13-25-8-10-26(11-9-25)14-20-23-18-5-3-2-4-16(18)21(27)24-20/h2-7,12H,8-11,13-14H2,1H3,(H,23,24,27)