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

Systemtic Name: (2S)-1-(1-adamantylcarbonyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(adamantane-1-carbonyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[1-adamantyl(oxo)methyl]-N-[3-(4-phenyl-1-piperazinyl)propyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(adamantane-1-carbonyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(adamantane-1-carbonyl)-N-[3-(4-phenylpiperazino)propyl]pyrrolidine-2-carboxamide Formula: C29H42N4O2 MolecularWeight: 478.66938

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N4O2/c34-27(30-9-5-10-31-12-14-32(15-13-31)25-6-2-1-3-7-25)26-8-4-11-33(26)28(35)29-19-22-16-23(20-29)18-24(17-22)21-29/h1-3,6-7,22-24,26H,4-5,8-21H2,(H,30,34)/t22?,23?,24?,26-,29?/m0/s1