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

Systemtic Name: ethyl 1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C23H30N6O5 MolecularWeight: 470.5215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O5/c1-3-34-23(30)17-5-4-10-28(15-17)22-20(29(31)32)21(24-16-25-22)27-13-11-26(12-14-27)18-6-8-19(33-2)9-7-18/h6-9,16-17H,3-5,10-15H2,1-2H3