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

Systemtic Name: N-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxidanylidene-1-phenyl-propyl]pyridine-3-carboxamide Openeye Name: N-[3-[4-[cyano-(2-methyl-3-pyridyl)methyl]piperazin-1-yl]-3-oxo-1-phenyl-propyl]pyridine-3-carboxamide CAS Name: N-[3-[4-[cyano-(2-methyl-3-pyridinyl)methyl]-1-piperazinyl]-3-oxo-1-phenylpropyl]-3-pyridinecarboxamide IUPAC Name: N-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]pyridine-3-carboxamide Traditional Name: N-[3-[4-[cyano-(2-methyl-3-pyridyl)methyl]piperazino]-3-keto-1-phenyl-propyl]nicotinamide Formula: C27H28N6O2 MolecularWeight: 468.55022

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O2/c1-20-23(10-6-12-30-20)25(18-28)32-13-15-33(16-14-32)26(34)17-24(21-7-3-2-4-8-21)31-27(35)22-9-5-11-29-19-22/h2-12,19,24-25H,13-17H2,1H3,(H,31,35)