N-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxidanylidene-1-phenyl-propyl]pyrazine-2-carboxamide

Systemtic Name: N-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxidanylidene-1-phenyl-propyl]pyrazine-2-carboxamide Openeye Name: N-[3-[4-[cyano-(2-methyl-3-pyridyl)methyl]piperazin-1-yl]-3-oxo-1-phenyl-propyl]pyrazine-2-carboxamide CAS Name: N-[3-[4-[cyano-(2-methyl-3-pyridinyl)methyl]-1-piperazinyl]-3-oxo-1-phenylpropyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]pyrazine-2-carboxamide Traditional Name: N-[3-[4-[cyano-(2-methyl-3-pyridyl)methyl]piperazino]-3-keto-1-phenyl-propyl]pyrazinamide Formula: C26H27N7O2 MolecularWeight: 469.53828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NC(=O)C4=NC=CN=C4

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NC(=O)C4=NC=CN=C4

InChI

InChI=1S/C26H27N7O2/c1-19-21(8-5-9-29-19)24(17-27)32-12-14-33(15-13-32)25(34)16-22(20-6-3-2-4-7-20)31-26(35)23-18-28-10-11-30-23/h2-11,18,22,24H,12-16H2,1H3,(H,31,35)