N-[1-[4-[cyclopropylcarbonyl(methyl)amino]phenyl]piperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-[1-[4-[cyclopropylcarbonyl(methyl)amino]phenyl]piperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide Openeye Name: N-[1-[4-[cyclopropanecarbonyl(methyl)amino]phenyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide CAS Name: N-[1-[4-[[cyclopropyl(oxo)methyl]-methylamino]phenyl]-3-piperidinyl]-4-hydroxy-1-adamantanecarboxamide IUPAC Name: N-[1-[4-[cyclopropanecarbonyl(methyl)amino]phenyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide Traditional Name: N-[1-[4-[cyclopropanecarbonyl(methyl)amino]phenyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)N2CCCC(C2)NC(=O)C34CC5CC(C3)C(C(C5)C4)O)C(=O)C6CC6

Isomeric SMILES

CN(C1=CC=C(C=C1)N2CCCC(C2)NC(=O)C34CC5CC(C3)C(C(C5)C4)O)C(=O)C6CC6

InChI

InChI=1S/C27H37N3O3/c1-29(25(32)18-4-5-18)22-6-8-23(9-7-22)30-10-2-3-21(16-30)28-26(33)27-13-17-11-19(14-27)24(31)20(12-17)15-27/h6-9,17-21,24,31H,2-5,10-16H2,1H3,(H,28,33)