ethyl 4-[6-methyl-2-[1-(2-methyl-5-nitro-phenyl)carbonylpiperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-methyl-2-[1-(2-methyl-5-nitro-phenyl)carbonylpiperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[6-methyl-2-[1-(2-methyl-5-nitro-benzoyl)-4-piperidyl]pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-methyl-2-[1-[(2-methyl-5-nitrophenyl)-oxomethyl]-4-piperidinyl]-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-methyl-2-[1-(2-methyl-5-nitrobenzoyl)piperidin-4-yl]pyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-methyl-2-[1-(2-methyl-5-nitro-benzoyl)-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)C4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O6/c1-4-38-27(35)31-15-13-30(14-16-31)25(33)22-8-6-19(3)28-24(22)20-9-11-29(12-10-20)26(34)23-17-21(32(36)37)7-5-18(23)2/h5-8,17,20H,4,9-16H2,1-3H3