N-[4-(azepan-1-ylcarbonyl)-2-(3,4-dimethylphenyl)pyrazol-3-yl]propanamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)-2-(3,4-dimethylphenyl)pyrazol-3-yl]propanamide Openeye Name: N-[4-(azepane-1-carbonyl)-2-(3,4-dimethylphenyl)pyrazol-3-yl]propanamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]-2-(3,4-dimethylphenyl)-3-pyrazolyl]propanamide IUPAC Name: N-[4-(azepane-1-carbonyl)-2-(3,4-dimethylphenyl)pyrazol-3-yl]propanamide Traditional Name: N-[4-(azepane-1-carbonyl)-2-(3,4-dimethylphenyl)pyrazol-3-yl]propionamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=NN1C2=CC(=C(C=C2)C)C)C(=O)N3CCCCCC3

Isomeric SMILES

CCC(=O)NC1=C(C=NN1C2=CC(=C(C=C2)C)C)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H28N4O2/c1-4-19(26)23-20-18(21(27)24-11-7-5-6-8-12-24)14-22-25(20)17-10-9-15(2)16(3)13-17/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,23,26)