ethyl 4-[6-methyl-2-[1-[2-(3-nitrophenyl)ethanoyl]piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-methyl-2-[1-[2-(3-nitrophenyl)ethanoyl]piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[6-methyl-2-[1-[2-(3-nitrophenyl)acetyl]-4-piperidyl]pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-methyl-2-[1-[2-(3-nitrophenyl)-1-oxoethyl]-4-piperidinyl]-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-methyl-2-[1-[2-(3-nitrophenyl)acetyl]piperidin-4-yl]pyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-methyl-2-[1-[2-(3-nitrophenyl)acetyl]-4-piperidyl]nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H33N5O6 MolecularWeight: 523.58082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H33N5O6/c1-3-38-27(35)31-15-13-30(14-16-31)26(34)23-8-7-19(2)28-25(23)21-9-11-29(12-10-21)24(33)18-20-5-4-6-22(17-20)32(36)37/h4-8,17,21H,3,9-16,18H2,1-2H3