ethyl 1-[2-oxidanylidene-2-[[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-oxidanylidene-2-[[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-oxo-2-[3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]ethyl]piperidine-4-carboxylate CAS Name: 1-[2-oxo-2-[3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]anilino]ethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-oxo-2-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]ethyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-[3-[[4-(3-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=CC(=C2)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

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

InChI

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