3-[3-(2-fluoranylethyl)-2-methyl-5-nitro-4H-pyrimidin-6-yl]-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-[3-(2-fluoranylethyl)-2-methyl-5-nitro-4H-pyrimidin-6-yl]-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-[3-(2-fluoroethyl)-2-methyl-5-nitro-4H-pyrimidin-6-yl]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-[3-(2-fluoroethyl)-2-methyl-5-nitro-4H-pyrimidin-6-yl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-[3-(2-fluoroethyl)-2-methyl-5-nitro-4H-pyrimidin-6-yl]-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-[3-(2-fluoroethyl)-2-methyl-5-nitro-4H-pyrimidin-6-yl]-1,2,4,5-tetrahydro-3-benzazepine Formula: C17H21FN4O2 MolecularWeight: 332.372643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(CN1CCF)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2

Isomeric SMILES

CC1=NC(=C(CN1CCF)[N+](=O)[O-])N2CCC3=CC=CC=C3CC2

InChI

InChI=1S/C17H21FN4O2/c1-13-19-17(16(22(23)24)12-21(13)11-8-18)20-9-6-14-4-2-3-5-15(14)7-10-20/h2-5H,6-12H2,1H3