2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: 2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazine-1-carboxylate Openeye Name: 2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]ethyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(5-cyano-3-ethoxycarbonyl-6-methyl-2-pyridinyl)-1-piperazinecarboxylic acid 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl 4-(5-cyano-3-ethoxycarbonyl-6-methylpyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-carbethoxy-5-cyano-6-methyl-2-pyridyl)piperazine-1-carboxylic acid 2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]ethyl ester Formula: C29H37FN6O5 MolecularWeight: 568.639683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)OCCN3CCN(CC3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)OCCN3CCN(CC3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C29H37FN6O5/c1-4-40-28(37)24-18-23(19-31)21(2)32-27(24)35-11-13-36(14-12-35)29(38)41-16-15-33-7-9-34(10-8-33)20-22-5-6-26(39-3)25(30)17-22/h5-6,17-18H,4,7-16,20H2,1-3H3