N-cyano-N'-(2-methylphenyl)-4-[2-(5-methylpyrazol-1-yl)ethanoyl]-3-phenyl-piperazine-1-carboximidamide

Systemtic Name: N-cyano-N'-(2-methylphenyl)-4-[2-(5-methylpyrazol-1-yl)ethanoyl]-3-phenyl-piperazine-1-carboximidamide Openeye Name: N-cyano-4-[2-(5-methylpyrazol-1-yl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine CAS Name: N-cyano-N'-(2-methylphenyl)-4-[2-(5-methyl-1-pyrazolyl)-1-oxoethyl]-3-phenyl-1-piperazinecarboximidamide IUPAC Name: N-cyano-N'-(2-methylphenyl)-4-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide Traditional Name: N-cyano-4-[2-(5-methylpyrazol-1-yl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine Formula: C25H27N7O MolecularWeight: 441.52818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CN4C(=CC=N4)C

Isomeric SMILES

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CN4C(=CC=N4)C

InChI

InChI=1S/C25H27N7O/c1-19-8-6-7-11-22(19)29-25(27-18-26)30-14-15-31(23(16-30)21-9-4-3-5-10-21)24(33)17-32-20(2)12-13-28-32/h3-13,23H,14-17H2,1-2H3,(H,27,29)