N-[(2S)-5-methylhexan-2-yl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-4-pyrazol-1-yl-benzamide Formula: C17H23N3O MolecularWeight: 285.38402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)C1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C17H23N3O/c1-13(2)5-6-14(3)19-17(21)15-7-9-16(10-8-15)20-12-4-11-18-20/h4,7-14H,5-6H2,1-3H3,(H,19,21)/t14-/m0/s1