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

Systemtic Name: N-cyano-4-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide Openeye Name: N-cyano-4-[2-(3-methylisoxazol-5-yl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine CAS Name: N-cyano-4-[2-(3-methyl-5-isoxazolyl)-1-oxoethyl]-N'-(2-methylphenyl)-3-phenyl-1-piperazinecarboximidamide IUPAC Name: N-cyano-4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N'-(2-methylphenyl)-3-phenylpiperazine-1-carboximidamide Traditional Name: N-cyano-4-[2-(3-methylisoxazol-5-yl)acetyl]-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine Formula: C25H26N6O2 MolecularWeight: 442.51294

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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)CC4=CC(=NO4)C

Isomeric SMILES

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CC(=NO4)C

InChI

InChI=1S/C25H26N6O2/c1-18-8-6-7-11-22(18)28-25(27-17-26)30-12-13-31(23(16-30)20-9-4-3-5-10-20)24(32)15-21-14-19(2)29-33-21/h3-11,14,23H,12-13,15-16H2,1-2H3,(H,27,28)