2-[4-[4-(4-fluorophenyl)piperidin-1-yl]-2-methyl-5-nitro-6-oxidanylidene-pyrimidin-1-yl]ethanenitrile

Systemtic Name: 2-[4-[4-(4-fluorophenyl)piperidin-1-yl]-2-methyl-5-nitro-6-oxidanylidene-pyrimidin-1-yl]ethanenitrile Openeye Name: 2-[4-[4-(4-fluorophenyl)-1-piperidyl]-2-methyl-5-nitro-6-oxo-pyrimidin-1-yl]acetonitrile CAS Name: 2-[4-[4-(4-fluorophenyl)-1-piperidinyl]-2-methyl-5-nitro-6-oxo-1-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-[4-(4-fluorophenyl)piperidin-1-yl]-2-methyl-5-nitro-6-oxopyrimidin-1-yl]acetonitrile Traditional Name: 2-[4-[4-(4-fluorophenyl)piperidino]-6-keto-2-methyl-5-nitro-pyrimidin-1-yl]acetonitrile Formula: C18H18FN5O3 MolecularWeight: 371.365623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1CC#N)[N+](=O)[O-])N2CCC(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NC(=C(C(=O)N1CC#N)[N+](=O)[O-])N2CCC(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN5O3/c1-12-21-17(16(24(26)27)18(25)23(12)11-8-20)22-9-6-14(7-10-22)13-2-4-15(19)5-3-13/h2-5,14H,6-7,9-11H2,1H3