N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide CAS Name: N-[1-[(3-methoxyphenyl)methyl]-4-pyrazolyl]-3-(5-methyl-3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide Traditional Name: N-(1-m-anisylpyrazol-4-yl)-3-(5-methyl-3-nitro-pyrazol-1-yl)propionamide Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2=CN(N=C2)CC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC2=CN(N=C2)CC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O4/c1-13-8-17(24(26)27)21-23(13)7-6-18(25)20-15-10-19-22(12-15)11-14-4-3-5-16(9-14)28-2/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,20,25)