4-oxidanyl-N-[(3S)-1-[4-[phenyl(propanoyl)amino]piperidin-1-yl]carbonylpiperidin-3-yl]adamantane-1-carboxamide

Systemtic Name: 4-oxidanyl-N-[(3S)-1-[4-[phenyl(propanoyl)amino]piperidin-1-yl]carbonylpiperidin-3-yl]adamantane-1-carboxamide Openeye Name: 4-hydroxy-N-[(3S)-1-[4-(N-propanoylanilino)piperidine-1-carbonyl]-3-piperidyl]adamantane-1-carboxamide CAS Name: 4-hydroxy-N-[(3S)-1-[oxo-[4-[N-(1-oxopropyl)anilino]-1-piperidinyl]methyl]-3-piperidinyl]-1-adamantanecarboxamide IUPAC Name: 4-hydroxy-N-[(3S)-1-[4-(N-propanoylanilino)piperidine-1-carbonyl]piperidin-3-yl]adamantane-1-carboxamide Traditional Name: 4-hydroxy-N-[(3S)-1-[4-(N-propionylanilino)piperidine-1-carbonyl]-3-piperidyl]adamantane-1-carboxamide Formula: C31H44N4O4 MolecularWeight: 536.70546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(CC1)C(=O)N2CCCC(C2)NC(=O)C34CC5CC(C3)C(C(C5)C4)O)C6=CC=CC=C6

Isomeric SMILES

CCC(=O)N(C1CCN(CC1)C(=O)N2CCC[C@@H](C2)NC(=O)C34CC5CC(C3)C(C(C5)C4)O)C6=CC=CC=C6

InChI

InChI=1S/C31H44N4O4/c1-2-27(36)35(25-8-4-3-5-9-25)26-10-13-33(14-11-26)30(39)34-12-6-7-24(20-34)32-29(38)31-17-21-15-22(18-31)28(37)23(16-21)19-31/h3-5,8-9,21-24,26,28,37H,2,6-7,10-20H2,1H3,(H,32,38)/t21?,22?,23?,24-,28?,31?/m0/s1