ethyl 4-[2-(cyclopentylmethyl)-6-methyl-4-oxidanylidene-1-(pyridin-3-ylmethyl)pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(cyclopentylmethyl)-6-methyl-4-oxidanylidene-1-(pyridin-3-ylmethyl)pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(cyclopentylmethyl)-6-methyl-4-oxo-1-(3-pyridylmethyl)pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(cyclopentylmethyl)-6-methyl-4-oxo-1-(3-pyridinylmethyl)-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(cyclopentylmethyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(cyclopentylmethyl)-4-keto-6-methyl-1-(3-pyridylmethyl)nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=CC2=O)C)CC3=CN=CC=C3)CC4CCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=CC2=O)C)CC3=CN=CC=C3)CC4CCCC4

InChI

InChI=1S/C26H34N4O4/c1-3-34-26(33)29-13-11-28(12-14-29)25(32)24-22(16-20-7-4-5-8-20)30(19(2)15-23(24)31)18-21-9-6-10-27-17-21/h6,9-10,15,17,20H,3-5,7-8,11-14,16,18H2,1-2H3