N-[(2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methyl-ethyl]adamantane-1-carboxamide CAS Name: N-[(2R)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]propan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-2-[4-(2,3-dimethylphenyl)piperazino]-1-methyl-ethyl]adamantane-1-carboxamide Formula: C26H39N3O MolecularWeight: 409.60736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CC(C)NC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C[C@@H](C)NC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H39N3O/c1-18-5-4-6-24(20(18)3)29-9-7-28(8-10-29)17-19(2)27-25(30)26-14-21-11-22(15-26)13-23(12-21)16-26/h4-6,19,21-23H,7-17H2,1-3H3,(H,27,30)/t19-,21?,22?,23?,26?/m1/s1