2-methyl-1-phenyl-propan-2-amine; (2S)-1-[2-[[(5S,7R)-3-oxidanyl-1-adamantyl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: 2-methyl-1-phenyl-propan-2-amine; (2S)-1-[2-[[(5S,7R)-3-oxidanyl-1-adamantyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile; 2-methyl-1-phenyl-propan-2-amine CAS Name: (2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile; 2-methyl-1-phenyl-2-propanamine IUPAC Name: (2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile; 2-methyl-1-phenylpropan-2-amine Traditional Name: (1,1-dimethyl-2-phenyl-ethyl)amine; (2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)N.C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)N.C1C[C@H](N(C1)C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C#N

InChI

InChI=1S/C17H25N3O2.C10H15N/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16;1-10(2,11)8-9-6-4-3-5-7-9/h12-14,19,22H,1-8,10-11H2;3-7H,8,11H2,1-2H3/t12-,13+,14-,16?,17?;/m0./s1