3-(2-fluorophenyl)-6-nitro-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]quinazolin-4-one

Systemtic Name: 3-(2-fluorophenyl)-6-nitro-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]quinazolin-4-one Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-3-(2-fluorophenyl)-6-nitro-quinazolin-4-one CAS Name: 3-(2-fluorophenyl)-6-nitro-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-quinazolinone IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-3-(2-fluorophenyl)-6-nitroquinazolin-4-one Traditional Name: 2-[(4-benzylpiperazino)methyl]-3-(2-fluorophenyl)-6-nitro-quinazolin-4-one Formula: C26H24FN5O3 MolecularWeight: 473.498863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3C5=CC=CC=C5F

InChI

InChI=1S/C26H24FN5O3/c27-22-8-4-5-9-24(22)31-25(28-23-11-10-20(32(34)35)16-21(23)26(31)33)18-30-14-12-29(13-15-30)17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2