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

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-(4-sec-butylphenyl)propyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[1-(4-butan-2-ylphenyl)propyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-(4-sec-butylphenyl)propyl]propionamide Formula: C19H25BrN4O3 MolecularWeight: 437.3308

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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)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN4O3/c1-4-13(3)14-6-8-15(9-7-14)17(5-2)21-18(25)10-11-23-12-16(20)19(22-23)24(26)27/h6-9,12-13,17H,4-5,10-11H2,1-3H3,(H,21,25)