N-[4-(azepan-1-ylcarbonyl)-2-phenyl-pyrazol-3-yl]-4-methyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)-2-phenyl-pyrazol-3-yl]-4-methyl-benzamide Openeye Name: N-[4-(azepane-1-carbonyl)-2-phenyl-pyrazol-3-yl]-4-methyl-benzamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]-2-phenyl-3-pyrazolyl]-4-methylbenzamide IUPAC Name: N-[4-(azepane-1-carbonyl)-2-phenylpyrazol-3-yl]-4-methylbenzamide Traditional Name: N-[4-(azepane-1-carbonyl)-2-phenyl-pyrazol-3-yl]-4-methyl-benzamide Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C=NN2C3=CC=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H26N4O2/c1-18-11-13-19(14-12-18)23(29)26-22-21(24(30)27-15-7-2-3-8-16-27)17-25-28(22)20-9-5-4-6-10-20/h4-6,9-14,17H,2-3,7-8,15-16H2,1H3,(H,26,29)