N-[(2S)-1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(4-benzylpiperazin-1-yl)ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-phenylpropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-(4-benzylpiperazino)ethyl]adamantane-1-carboxamide Formula: C31H41N3O MolecularWeight: 471.67674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(CC3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C[C@H](CC3=CC=CC=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H41N3O/c35-30(31-19-26-15-27(20-31)17-28(16-26)21-31)32-29(18-24-7-3-1-4-8-24)23-34-13-11-33(12-14-34)22-25-9-5-2-6-10-25/h1-10,26-29H,11-23H2,(H,32,35)/t26?,27?,28?,29-,31?/m0/s1