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

Systemtic Name: N-[(3S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]carbonylpiperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide Openeye Name: 4-hydroxy-N-[(3S)-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-piperidyl]adamantane-1-carboxamide CAS Name: 4-hydroxy-N-[(3S)-1-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-3-piperidinyl]-1-adamantanecarboxamide IUPAC Name: 4-hydroxy-N-[(3S)-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-3-yl]adamantane-1-carboxamide Traditional Name: 4-hydroxy-N-[(3S)-1-[4-(4-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=C(C=C1)N2CCN(CC2)C(=O)N3CCCC(C3)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O4/c1-36-24-6-4-23(5-7-24)30-9-11-31(12-10-30)27(35)32-8-2-3-22(18-32)29-26(34)28-15-19-13-20(16-28)25(33)21(14-19)17-28/h4-7,19-22,25,33H,2-3,8-18H2,1H3,(H,29,34)/t19?,20?,21?,22-,25?,28?/m0/s1