methyl 3-[[4-[(5-methylpyridin-2-yl)amino]piperidin-1-yl]methyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-[[4-[(5-methylpyridin-2-yl)amino]piperidin-1-yl]methyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[4-[(5-methyl-2-pyridyl)amino]-1-piperidyl]methyl]adamantane-1-carboxylate CAS Name: 3-[[4-[(5-methyl-2-pyridinyl)amino]-1-piperidinyl]methyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(5-methylpyridin-2-yl)amino]piperidin-1-yl]methyl]adamantane-1-carboxylate Traditional Name: 3-[[4-[(5-methyl-2-pyridyl)amino]piperidino]methyl]adamantane-1-carboxylic acid methyl ester Formula: C24H35N3O2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC2CCN(CC2)CC34CC5CC(C3)CC(C5)(C4)C(=O)OC

Isomeric SMILES

CC1=CN=C(C=C1)NC2CCN(CC2)CC34CC5CC(C3)CC(C5)(C4)C(=O)OC

InChI

InChI=1S/C24H35N3O2/c1-17-3-4-21(25-14-17)26-20-5-7-27(8-6-20)16-23-10-18-9-19(11-23)13-24(12-18,15-23)22(28)29-2/h3-4,14,18-20H,5-13,15-16H2,1-2H3,(H,25,26)