N-[(2S)-butan-2-yl]-3-[(4-chloranylpyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-3-[(4-chloranylpyrazol-1-yl)methyl]benzamide Openeye Name: 3-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-methylpropyl]benzamide CAS Name: N-[(2S)-butan-2-yl]-3-[(4-chloro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[(2S)-butan-2-yl]-3-[(4-chloropyrazol-1-yl)methyl]benzamide Traditional Name: 3-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-methylpropyl]benzamide Formula: C15H18ClN3O MolecularWeight: 291.77592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=CC=C1)CN2C=C(C=N2)Cl

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=CC=C1)CN2C=C(C=N2)Cl

InChI

InChI=1S/C15H18ClN3O/c1-3-11(2)18-15(20)13-6-4-5-12(7-13)9-19-10-14(16)8-17-19/h4-8,10-11H,3,9H2,1-2H3,(H,18,20)/t11-/m0/s1