4-(4-chloranyl-3-methyl-phenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide CAS Name: 4-(4-chloro-3-methylphenoxy)-N-[3-(1-pyrazolylmethyl)phenyl]butanamide IUPAC Name: 4-(4-chloro-3-methylphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]butyramide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)NC2=CC=CC(=C2)CN3C=CC=N3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)NC2=CC=CC(=C2)CN3C=CC=N3)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-16-13-19(8-9-20(16)22)27-12-3-7-21(26)24-18-6-2-5-17(14-18)15-25-11-4-10-23-25/h2,4-6,8-11,13-14H,3,7,12,15H2,1H3,(H,24,26)