N-[1-[5-(4-acetamidophenyl)pyridin-2-yl]piperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-[1-[5-(4-acetamidophenyl)pyridin-2-yl]piperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide Openeye Name: N-[1-[5-(4-acetamidophenyl)-2-pyridyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide CAS Name: N-[1-[5-(4-acetamidophenyl)-2-pyridinyl]-3-piperidinyl]-4-hydroxy-1-adamantanecarboxamide IUPAC Name: N-[1-[5-(4-acetamidophenyl)pyridin-2-yl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide Traditional Name: N-[1-[5-(4-acetamidophenyl)-2-pyridyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CN=C(C=C2)N3CCCC(C3)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CN=C(C=C2)N3CCCC(C3)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

InChI

InChI=1S/C29H36N4O3/c1-18(34)31-24-7-4-20(5-8-24)21-6-9-26(30-16-21)33-10-2-3-25(17-33)32-28(36)29-13-19-11-22(14-29)27(35)23(12-19)15-29/h4-9,16,19,22-23,25,27,35H,2-3,10-15,17H2,1H3,(H,31,34)(H,32,36)