N-[1-(4-butan-2-ylphenyl)propyl]-3-(3-methyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-(3-methyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: 3-(3-methyl-4-nitro-pyrazol-1-yl)-N-[1-(4-sec-butylphenyl)propyl]propanamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-(3-methyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide Traditional Name: 3-(3-methyl-4-nitro-pyrazol-1-yl)-N-[1-(4-sec-butylphenyl)propyl]propionamide Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)CCN2C=C(C(=N2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)CCN2C=C(C(=N2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O3/c1-5-14(3)16-7-9-17(10-8-16)18(6-2)21-20(25)11-12-23-13-19(24(26)27)15(4)22-23/h7-10,13-14,18H,5-6,11-12H2,1-4H3,(H,21,25)