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

Systemtic Name: N-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxidanylidene-1-phenyl-propyl]pyrrolidine-1-carboxamide Openeye Name: N-[3-[4-[cyano-(2-methyl-3-pyridyl)methyl]piperazin-1-yl]-3-oxo-1-phenyl-propyl]pyrrolidine-1-carboxamide CAS Name: N-[3-[4-[cyano-(2-methyl-3-pyridinyl)methyl]-1-piperazinyl]-3-oxo-1-phenylpropyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]pyrrolidine-1-carboxamide Traditional Name: N-[3-[4-[cyano-(2-methyl-3-pyridyl)methyl]piperazino]-3-keto-1-phenyl-propyl]pyrrolidine-1-carboxamide Formula: C26H32N6O2 MolecularWeight: 460.57128

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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)N4CCCC4

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NC(=O)N4CCCC4

InChI

InChI=1S/C26H32N6O2/c1-20-22(10-7-11-28-20)24(19-27)30-14-16-31(17-15-30)25(33)18-23(21-8-3-2-4-9-21)29-26(34)32-12-5-6-13-32/h2-4,7-11,23-24H,5-6,12-18H2,1H3,(H,29,34)