(2S)-1-(1-adamantylcarbonyl)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(1-adamantylcarbonyl)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(adamantane-1-carbonyl)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[1-adamantyl(oxo)methyl]-N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(adamantane-1-carbonyl)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(adamantane-1-carbonyl)-N-[3-[4-(3-chlorophenyl)piperazino]propyl]pyrrolidine-2-carboxamide Formula: C29H41ClN4O2 MolecularWeight: 513.11444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NCCCN5CCN(CC5)C6=CC(=CC=C6)Cl

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NCCCN5CCN(CC5)C6=CC(=CC=C6)Cl

InChI

InChI=1S/C29H41ClN4O2/c30-24-4-1-5-25(17-24)33-12-10-32(11-13-33)8-3-7-31-27(35)26-6-2-9-34(26)28(36)29-18-21-14-22(19-29)16-23(15-21)20-29/h1,4-5,17,21-23,26H,2-3,6-16,18-20H2,(H,31,35)/t21?,22?,23?,26-,29?/m0/s1