N-[4-(cyanomethyl)phenyl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: N-[4-(cyanomethyl)phenyl]-4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H20N4O2/c22-14-12-16-6-8-18(9-7-16)23-20(26)10-11-21(27)25-15-13-19(24-25)17-4-2-1-3-5-17/h1-9H,10-13,15H2,(H,23,26)