N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-pyridin-4-ylethanoyl)piperazine-1-carboximidamide

Systemtic Name: N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-pyridin-4-ylethanoyl)piperazine-1-carboximidamide Openeye Name: N-cyano-N'-(o-tolyl)-3-phenyl-4-[2-(4-pyridyl)acetyl]piperazine-1-carboxamidine CAS Name: N-cyano-N'-(2-methylphenyl)-4-(1-oxo-2-pyridin-4-ylethyl)-3-phenyl-1-piperazinecarboximidamide IUPAC Name: N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-pyridin-4-ylacetyl)piperazine-1-carboximidamide Traditional Name: N-cyano-N'-(o-tolyl)-3-phenyl-4-[2-(4-pyridyl)acetyl]piperazine-1-carboxamidine Formula: C26H26N6O MolecularWeight: 438.52424

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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=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CC=NC=C4

InChI

InChI=1S/C26H26N6O/c1-20-7-5-6-10-23(20)30-26(29-19-27)31-15-16-32(24(18-31)22-8-3-2-4-9-22)25(33)17-21-11-13-28-14-12-21/h2-14,24H,15-18H2,1H3,(H,29,30)