ethyl 4-[2-[1-(3-chloranyl-4-methyl-thiophen-2-yl)carbonylpiperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-(3-chloranyl-4-methyl-thiophen-2-yl)carbonylpiperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(3-chloro-4-methyl-thiophene-2-carbonyl)-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[(3-chloro-4-methyl-2-thiophenyl)-oxomethyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-(3-chloro-4-methyl-thiophene-2-carbonyl)-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H31ClN4O4S MolecularWeight: 519.05604

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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(=CS4)C)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=C(C(=CS4)C)Cl

InChI

InChI=1S/C25H31ClN4O4S/c1-4-34-25(33)30-13-11-29(12-14-30)23(31)19-6-5-17(3)27-21(19)18-7-9-28(10-8-18)24(32)22-20(26)16(2)15-35-22/h5-6,15,18H,4,7-14H2,1-3H3