N-[(2S)-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]adamantane-1-carboxamide dihydrochloride

Systemtic Name: N-[(2S)-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]adamantane-1-carboxamide dihydrochloride Openeye Name: N-[(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-ethyl]adamantane-1-carboxamide dihydrochloride CAS Name: N-[(2S)-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-1-adamantanecarboxamide dihydrochloride IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide dihydrochloride Traditional Name: N-[(1S)-2-(4-benzylpiperazino)-1-methyl-ethyl]adamantane-1-carboxamide dihydrochloride Formula: C25H39Cl2N3O MolecularWeight: 468.50266

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4.Cl.Cl

Isomeric SMILES

C[C@@H](CN1CCN(CC1)CC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4.Cl.Cl

InChI

InChI=1S/C25H37N3O.2ClH/c1-19(17-27-7-9-28(10-8-27)18-20-5-3-2-4-6-20)26-24(29)25-14-21-11-22(15-25)13-23(12-21)16-25;;/h2-6,19,21-23H,7-18H2,1H3,(H,26,29);2*1H/t19-,21?,22?,23?,25?;;/m0../s1