ethyl 1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C24H32N6O4 MolecularWeight: 468.54868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC(=C4C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC(=C4C)C)[N+](=O)[O-]

InChI

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