N-[1-(4-butan-2-ylphenyl)propyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[1-(4-sec-butylphenyl)propyl]propanamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[1-(4-sec-butylphenyl)propyl]propionamide Formula: C21H30N4O3 MolecularWeight: 386.4879

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c1-6-14(3)17-8-10-18(11-9-17)19(7-2)22-20(26)12-13-24-16(5)21(25(27)28)15(4)23-24/h8-11,14,19H,6-7,12-13H2,1-5H3,(H,22,26)