ethyl 4-[2-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H36N4O6 MolecularWeight: 536.61934

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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)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H36N4O6/c1-3-37-29(36)33-16-14-32(15-17-33)28(35)23-7-4-20(2)30-27(23)22-10-12-31(13-11-22)26(34)9-6-21-5-8-24-25(18-21)39-19-38-24/h4-5,7-8,18,22H,3,6,9-17,19H2,1-2H3