N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[1-[(3-fluorophenyl)methyl]-4-pyrazolyl]-3-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-(3-fluorobenzyl)pyrazol-4-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C17H17FN6O4 MolecularWeight: 388.353083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CN(N=C2)CC3=CC(=CC=C3)F

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CN(N=C2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C17H17FN6O4/c1-28-17-15(24(26)27)11-22(21-17)6-5-16(25)20-14-8-19-23(10-14)9-12-3-2-4-13(18)7-12/h2-4,7-8,10-11H,5-6,9H2,1H3,(H,20,25)