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

Systemtic Name: N-[(3S)-1-[4-(4-cyanophenyl)piperazin-1-yl]carbonylpiperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide Openeye Name: N-[(3S)-1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide CAS Name: N-[(3S)-1-[[4-(4-cyanophenyl)-1-piperazinyl]-oxomethyl]-3-piperidinyl]-4-hydroxy-1-adamantanecarboxamide IUPAC Name: N-[(3S)-1-[4-(4-cyanophenyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide Traditional Name: N-[(3S)-1-[4-(4-cyanophenyl)piperazine-1-carbonyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide Formula: C28H37N5O3 MolecularWeight: 491.62508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N)NC(=O)C45CC6CC(C4)C(C(C6)C5)O

InChI

InChI=1S/C28H37N5O3/c29-17-19-3-5-24(6-4-19)31-8-10-32(11-9-31)27(36)33-7-1-2-23(18-33)30-26(35)28-14-20-12-21(15-28)25(34)22(13-20)16-28/h3-6,20-23,25,34H,1-2,7-16,18H2,(H,30,35)/t20?,21?,22?,23-,25?,28?/m0/s1