1-[(2-fluorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one

Systemtic Name: 1-[(2-fluorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one Openeye Name: 1-[(2-fluorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one CAS Name: 1-[(2-fluorophenyl)methyl]-7-methyl-5-(4-methyl-1-piperazinyl)-3,4-dihydroquinazolin-2-one IUPAC Name: 1-[(2-fluorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)-3,4-dihydroquinazolin-2-one Traditional Name: 1-(2-fluorobenzyl)-7-methyl-5-(4-methylpiperazino)-3,4-dihydroquinazolin-2-one Formula: C21H25FN4O MolecularWeight: 368.447803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CNC(=O)N2CC3=CC=CC=C3F)C(=C1)N4CCN(CC4)C

Isomeric SMILES

CC1=CC2=C(CNC(=O)N2CC3=CC=CC=C3F)C(=C1)N4CCN(CC4)C

InChI

InChI=1S/C21H25FN4O/c1-15-11-19(25-9-7-24(2)8-10-25)17-13-23-21(27)26(20(17)12-15)14-16-5-3-4-6-18(16)22/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,23,27)