N-[(3S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylpiperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-[(3S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylpiperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide Openeye Name: 4-hydroxy-N-[(3S)-1-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-3-piperidyl]adamantane-1-carboxamide CAS Name: 4-hydroxy-N-[(3S)-1-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]-3-piperidinyl]-1-adamantanecarboxamide IUPAC Name: 4-hydroxy-N-[(3S)-1-[4-(3-methoxyphenyl)piperazine-1-carbonyl]piperidin-3-yl]adamantane-1-carboxamide Traditional Name: 4-hydroxy-N-[(3S)-1-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-3-piperidyl]adamantane-1-carboxamide Formula: C28H40N4O4 MolecularWeight: 496.6416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)N3CCCC(C3)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)N3CCC[C@@H](C3)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

InChI

InChI=1S/C28H40N4O4/c1-36-24-6-2-5-23(14-24)30-8-10-31(11-9-30)27(35)32-7-3-4-22(18-32)29-26(34)28-15-19-12-20(16-28)25(33)21(13-19)17-28/h2,5-6,14,19-22,25,33H,3-4,7-13,15-18H2,1H3,(H,29,34)/t19?,20?,21?,22-,25?,28?/m0/s1