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

Systemtic Name: N-[(3S)-1-[4-(3-chlorophenyl)piperazin-1-yl]carbonylpiperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide Openeye Name: N-[(3S)-1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide CAS Name: N-[(3S)-1-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-3-piperidinyl]-4-hydroxy-1-adamantanecarboxamide IUPAC Name: N-[(3S)-1-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide Traditional Name: N-[(3S)-1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide Formula: C27H37ClN4O3 MolecularWeight: 501.06068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37ClN4O3/c28-21-3-1-5-23(13-21)30-7-9-31(10-8-30)26(35)32-6-2-4-22(17-32)29-25(34)27-14-18-11-19(15-27)24(33)20(12-18)16-27/h1,3,5,13,18-20,22,24,33H,2,4,6-12,14-17H2,(H,29,34)/t18?,19?,20?,22-,24?,27?/m0/s1