ethyl 6-[4-(1-adamantylcarbonyl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(1-adamantylcarbonyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(adamantane-1-carbonyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(adamantane-1-carbonyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(adamantane-1-carbonyl)piperazino]nicotinic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O3/c1-2-29-21(27)19-3-4-20(24-15-19)25-5-7-26(8-6-25)22(28)23-12-16-9-17(13-23)11-18(10-16)14-23/h3-4,15-18H,2,5-14H2,1H3