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

Systemtic Name: 2-[(4-ethylpiperazin-1-yl)methyl]-3-(2-fluorophenyl)-6-nitro-quinazolin-4-one Openeye Name: 2-[(4-ethylpiperazin-1-yl)methyl]-3-(2-fluorophenyl)-6-nitro-quinazolin-4-one CAS Name: 2-[(4-ethyl-1-piperazinyl)methyl]-3-(2-fluorophenyl)-6-nitro-4-quinazolinone IUPAC Name: 2-[(4-ethylpiperazin-1-yl)methyl]-3-(2-fluorophenyl)-6-nitroquinazolin-4-one Traditional Name: 2-[(4-ethylpiperazino)methyl]-3-(2-fluorophenyl)-6-nitro-quinazolin-4-one Formula: C21H22FN5O3 MolecularWeight: 411.429483

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4F

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4F

InChI

InChI=1S/C21H22FN5O3/c1-2-24-9-11-25(12-10-24)14-20-23-18-8-7-15(27(29)30)13-16(18)21(28)26(20)19-6-4-3-5-17(19)22/h3-8,13H,2,9-12,14H2,1H3