N-[4-[3-(4-chlorophenyl)prop-2-ynoxy]-3-methoxy-phenyl]-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[4-[3-(4-chlorophenyl)prop-2-ynoxy]-3-methoxy-phenyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[4-[3-(4-chlorophenyl)prop-2-ynoxy]-3-methoxy-phenyl]-1-methyl-pyrazole-4-carboxamide CAS Name: N-[4-[3-(4-chlorophenyl)prop-2-ynoxy]-3-methoxyphenyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[4-[3-(4-chlorophenyl)prop-2-ynoxy]-3-methoxyphenyl]-1-methylpyrazole-4-carboxamide Traditional Name: N-[4-[3-(4-chlorophenyl)prop-2-ynoxy]-3-methoxy-phenyl]-1-methyl-pyrazole-4-carboxamide Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)NC2=CC(=C(C=C2)OCC#CC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

CN1C=C(C=N1)C(=O)NC2=CC(=C(C=C2)OCC#CC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H18ClN3O3/c1-25-14-16(13-23-25)21(26)24-18-9-10-19(20(12-18)27-2)28-11-3-4-15-5-7-17(22)8-6-15/h5-10,12-14H,11H2,1-2H3,(H,24,26)