(2S,5R)-1-[2-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]amino]ethanoyl]-5-ethynyl-pyrrolidine-2-carbonitrile

Systemtic Name: (2S,5R)-1-[2-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]amino]ethanoyl]-5-ethynyl-pyrrolidine-2-carbonitrile Openeye Name: (2S,5R)-1-[2-[[1-(4-chlorobenzoyl)-4-piperidyl]amino]acetyl]-5-ethynyl-pyrrolidine-2-carbonitrile CAS Name: (2S,5R)-1-[2-[[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]amino]-1-oxoethyl]-5-ethynyl-2-pyrrolidinecarbonitrile IUPAC Name: (2S,5R)-1-[2-[[1-(4-chlorobenzoyl)piperidin-4-yl]amino]acetyl]-5-ethynylpyrrolidine-2-carbonitrile Traditional Name: (2S,5R)-1-[2-[[1-(4-chlorobenzoyl)-4-piperidyl]amino]acetyl]-5-ethynyl-pyrrolidine-2-carbonitrile Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCC(N1C(=O)CNC2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C#C[C@H]1CC[C@H](N1C(=O)CNC2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C21H23ClN4O2/c1-2-18-7-8-19(13-23)26(18)20(27)14-24-17-9-11-25(12-10-17)21(28)15-3-5-16(22)6-4-15/h1,3-6,17-19,24H,7-12,14H2/t18-,19-/m0/s1