N-[3-chloranyl-4-[cyano(phenyl)methyl]phenyl]-2-(1-phenylpyrazol-4-yl)ethanamide

Systemtic Name: N-[3-chloranyl-4-[cyano(phenyl)methyl]phenyl]-2-(1-phenylpyrazol-4-yl)ethanamide Openeye Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide CAS Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-2-(1-phenyl-4-pyrazolyl)acetamide IUPAC Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide Traditional Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide Formula: C25H19ClN4O MolecularWeight: 426.89756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C2=C(C=C(C=C2)NC(=O)CC3=CN(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C2=C(C=C(C=C2)NC(=O)CC3=CN(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H19ClN4O/c26-24-14-20(11-12-22(24)23(15-27)19-7-3-1-4-8-19)29-25(31)13-18-16-28-30(17-18)21-9-5-2-6-10-21/h1-12,14,16-17,23H,13H2,(H,29,31)