2-[1-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)ethyl]-3-(4-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[1-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)ethyl]-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[1-[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]ethyl]-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[1-[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]ethyl]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]ethyl]-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[1-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]ethyl]-3-(4-fluorophenyl)quinazolin-4-one Formula: C25H27FN4O2 MolecularWeight: 434.505883

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C(C)C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C(C)C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C25H27FN4O2/c1-16-15-28(13-14-29(16)24(31)18-7-8-18)17(2)23-27-22-6-4-3-5-21(22)25(32)30(23)20-11-9-19(26)10-12-20/h3-6,9-12,16-18H,7-8,13-15H2,1-2H3