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

Systemtic Name: 3-(2-fluorophenyl)-6-nitro-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]quinazolin-4-one Openeye Name: 2-[[4-(1-ethylpropyl)piperazin-1-yl]methyl]-3-(2-fluorophenyl)-6-nitro-quinazolin-4-one CAS Name: 3-(2-fluorophenyl)-6-nitro-2-[(4-pentan-3-yl-1-piperazinyl)methyl]-4-quinazolinone IUPAC Name: 3-(2-fluorophenyl)-6-nitro-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]quinazolin-4-one Traditional Name: 2-[[4-(1-ethylpropyl)piperazino]methyl]-3-(2-fluorophenyl)-6-nitro-quinazolin-4-one Formula: C24H28FN5O3 MolecularWeight: 453.509223

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4F

Isomeric SMILES

CCC(CC)N1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4F

InChI

InChI=1S/C24H28FN5O3/c1-3-17(4-2)28-13-11-27(12-14-28)16-23-26-21-10-9-18(30(32)33)15-19(21)24(31)29(23)22-8-6-5-7-20(22)25/h5-10,15,17H,3-4,11-14,16H2,1-2H3