ethyl 1-[6-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(3,4-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(3,4-dimethylphenyl)piperazino]-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)N3CCN(CC3)C4=CC(=C(C=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC(=C(C=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H32N6O4/c1-4-34-24(31)19-7-9-28(10-8-19)22-21(30(32)33)23(26-16-25-22)29-13-11-27(12-14-29)20-6-5-17(2)18(3)15-20/h5-6,15-16,19H,4,7-14H2,1-3H3