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

Systemtic Name: ethyl 1-[5-nitro-6-[[1-(phenylmethyl)piperidin-4-yl]amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(1-benzyl-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[[1-(phenylmethyl)-4-piperidinyl]amino]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(1-benzylpiperidin-4-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(1-benzyl-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C24H32N6O4 MolecularWeight: 468.54868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H32N6O4/c1-2-34-24(31)19-8-14-29(15-9-19)23-21(30(32)33)22(25-17-26-23)27-20-10-12-28(13-11-20)16-18-6-4-3-5-7-18/h3-7,17,19-20H,2,8-16H2,1H3,(H,25,26,27)