ethyl 4-[[6-(4-cyano-4-phenyl-piperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-(4-cyano-4-phenyl-piperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-(4-cyano-4-phenyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-(4-cyano-4-phenyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-(4-cyano-4-phenylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-(4-cyano-4-phenyl-piperidino)-5-nitro-pyrimidin-4-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H29N7O4 MolecularWeight: 479.53156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H29N7O4/c1-2-35-23(32)30-12-8-19(9-13-30)28-21-20(31(33)34)22(27-17-26-21)29-14-10-24(16-25,11-15-29)18-6-4-3-5-7-18/h3-7,17,19H,2,8-15H2,1H3,(H,26,27,28)