ethyl 1-[2-oxidanylidene-2-[[4-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]amino]ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-oxidanylidene-2-[[4-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]amino]ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-oxo-2-[4-[[4-(2-pyridyl)pyrimidin-2-yl]amino]anilino]ethyl]piperidine-4-carboxylate CAS Name: 1-[2-oxo-2-[4-[[4-(2-pyridinyl)-2-pyrimidinyl]amino]anilino]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-oxo-2-[4-[(4-pyridin-2-ylpyrimidin-2-yl)amino]anilino]ethyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-[4-[[4-(2-pyridyl)pyrimidin-2-yl]amino]anilino]ethyl]isonipecotic acid ethyl ester Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C25H28N6O3/c1-2-34-24(33)18-11-15-31(16-12-18)17-23(32)28-19-6-8-20(9-7-19)29-25-27-14-10-22(30-25)21-5-3-4-13-26-21/h3-10,13-14,18H,2,11-12,15-17H2,1H3,(H,28,32)(H,27,29,30)