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

Systemtic Name: N-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxidanylidene-1-phenyl-propyl]-3-oxidanyl-pyridine-2-carboxamide Openeye Name: N-[3-[4-[cyano-(2-methyl-3-pyridyl)methyl]piperazin-1-yl]-3-oxo-1-phenyl-propyl]-3-hydroxy-pyridine-2-carboxamide CAS Name: N-[3-[4-[cyano-(2-methyl-3-pyridinyl)methyl]-1-piperazinyl]-3-oxo-1-phenylpropyl]-3-hydroxy-2-pyridinecarboxamide IUPAC Name: N-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]-3-hydroxypyridine-2-carboxamide Traditional Name: N-[3-[4-[cyano-(2-methyl-3-pyridyl)methyl]piperazino]-3-keto-1-phenyl-propyl]-3-hydroxy-picolinamide Formula: C27H28N6O3 MolecularWeight: 484.54962

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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=C(C=CC=N4)O

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NC(=O)C4=C(C=CC=N4)O

InChI

InChI=1S/C27H28N6O3/c1-19-21(9-5-11-29-19)23(18-28)32-13-15-33(16-14-32)25(35)17-22(20-7-3-2-4-8-20)31-27(36)26-24(34)10-6-12-30-26/h2-12,22-23,34H,13-17H2,1H3,(H,31,36)