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

Systemtic Name: N-cyano-N'-(2-methylphenyl)-4-[2-(3-methylpyrazol-1-yl)ethanoyl]-3-phenyl-piperazine-1-carboximidamide Openeye Name: N-cyano-4-[2-(3-methylpyrazol-1-yl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine CAS Name: N-cyano-N'-(2-methylphenyl)-4-[2-(3-methyl-1-pyrazolyl)-1-oxoethyl]-3-phenyl-1-piperazinecarboximidamide IUPAC Name: N-cyano-N'-(2-methylphenyl)-4-[2-(3-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide Traditional Name: N-cyano-4-[2-(3-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=NN(C=C1)CC(=O)N2CCN(CC2C3=CC=CC=C3)C(=NC4=CC=CC=C4C)NC#N

Isomeric SMILES

CC1=NN(C=C1)CC(=O)N2CCN(CC2C3=CC=CC=C3)C(=NC4=CC=CC=C4C)NC#N

InChI

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