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

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

Isomeric SMILES

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

InChI

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