N-[(3S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylpiperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-[(3S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonylpiperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide Openeye Name: N-[(3S)-1-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide CAS Name: N-[(3S)-1-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-3-piperidinyl]-4-hydroxy-1-adamantanecarboxamide IUPAC Name: N-[(3S)-1-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide Traditional Name: 4-hydroxy-N-[(3S)-1-(4-o-phenetylpiperazine-1-carbonyl)-3-piperidyl]adamantane-1-carboxamide Formula: C29H42N4O4 MolecularWeight: 510.66818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)N3CCCC(C3)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)N3CCC[C@@H](C3)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

InChI

InChI=1S/C29H42N4O4/c1-2-37-25-8-4-3-7-24(25)31-10-12-32(13-11-31)28(36)33-9-5-6-23(19-33)30-27(35)29-16-20-14-21(17-29)26(34)22(15-20)18-29/h3-4,7-8,20-23,26,34H,2,5-6,9-19H2,1H3,(H,30,35)/t20?,21?,22?,23-,26?,29?/m0/s1