4-(4-cyano-2-methoxy-phenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide

Systemtic Name: 4-(4-cyano-2-methoxy-phenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide Openeye Name: 4-(4-cyano-2-methoxy-phenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide CAS Name: 4-(4-cyano-2-methoxyphenoxy)-N-[(1-phenyl-4-pyrazolyl)methyl]butanamide IUPAC Name: 4-(4-cyano-2-methoxyphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide Traditional Name: 4-(4-cyano-2-methoxy-phenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]butyramide Formula: C22H22N4O3 MolecularWeight: 390.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3/c1-28-21-12-17(13-23)9-10-20(21)29-11-5-8-22(27)24-14-18-15-25-26(16-18)19-6-3-2-4-7-19/h2-4,6-7,9-10,12,15-16H,5,8,11,14H2,1H3,(H,24,27)