N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-[(5S,7R)-3-methyl-1-adamantyl]ethanamide

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-[(5S,7R)-3-methyl-1-adamantyl]ethanamide Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-[(5S,7R)-3-methyl-1-adamantyl]acetamide CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-[(5S,7R)-3-methyl-1-adamantyl]acetamide IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-[(5S,7R)-3-methyl-1-adamantyl]acetamide Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]propyl]-2-[(5S,7R)-3-methyl-1-adamantyl]acetamide Formula: C26H38ClN3O MolecularWeight: 444.05242

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)CC(=O)NCCCN4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC12C[C@H]3C[C@@H](C1)CC(C3)(C2)CC(=O)NCCCN4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H38ClN3O/c1-25-14-20-12-21(15-25)17-26(16-20,19-25)18-24(31)28-6-3-7-29-8-10-30(11-9-29)23-5-2-4-22(27)13-23/h2,4-5,13,20-21H,3,6-12,14-19H2,1H3,(H,28,31)/t20-,21+,25?,26?