3-[2-(4-fluorophenyl)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]-7-nitro-quinazolin-4-one

Systemtic Name: 3-[2-(4-fluorophenyl)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]-7-nitro-quinazolin-4-one Openeye Name: 3-[2-(4-fluorophenyl)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]-7-nitro-quinazolin-4-one CAS Name: 3-[2-(4-fluorophenyl)ethyl]-2-[(4-methyl-1-piperazinyl)methyl]-7-nitro-4-quinazolinone IUPAC Name: 3-[2-(4-fluorophenyl)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]-7-nitroquinazolin-4-one Traditional Name: 3-[2-(4-fluorophenyl)ethyl]-2-[(4-methylpiperazino)methyl]-7-nitro-quinazolin-4-one Formula: C22H24FN5O3 MolecularWeight: 425.456063

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2CCC4=CC=C(C=C4)F

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2CCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN5O3/c1-25-10-12-26(13-11-25)15-21-24-20-14-18(28(30)31)6-7-19(20)22(29)27(21)9-8-16-2-4-17(23)5-3-16/h2-7,14H,8-13,15H2,1H3