N-(2-butylphenyl)-4-[(4-chloranylpyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(2-butylphenyl)-4-[(4-chloranylpyrazol-1-yl)methyl]benzamide Openeye Name: N-(2-butylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide CAS Name: N-(2-butylphenyl)-4-[(4-chloro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(2-butylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide Traditional Name: N-(2-butylphenyl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide Formula: C21H22ClN3O MolecularWeight: 367.87188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl

Isomeric SMILES

CCCCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C21H22ClN3O/c1-2-3-6-17-7-4-5-8-20(17)24-21(26)18-11-9-16(10-12-18)14-25-15-19(22)13-23-25/h4-5,7-13,15H,2-3,6,14H2,1H3,(H,24,26)