2-phenoxy-1-[(3S)-3-[(4-pyrrolidin-1-ylcarbonyl-1,2,3-triazol-1-yl)methyl]piperidin-1-yl]ethanone

Systemtic Name: 2-phenoxy-1-[(3S)-3-[(4-pyrrolidin-1-ylcarbonyl-1,2,3-triazol-1-yl)methyl]piperidin-1-yl]ethanone Openeye Name: 2-phenoxy-1-[(3S)-3-[[4-(pyrrolidine-1-carbonyl)triazol-1-yl]methyl]-1-piperidyl]ethanone CAS Name: 1-[(3S)-3-[[4-[oxo(1-pyrrolidinyl)methyl]-1-triazolyl]methyl]-1-piperidinyl]-2-phenoxyethanone IUPAC Name: 2-phenoxy-1-[(3S)-3-[[4-(pyrrolidine-1-carbonyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone Traditional Name: 2-phenoxy-1-[(3S)-3-[[4-(pyrrolidine-1-carbonyl)triazol-1-yl]methyl]piperidino]ethanone Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN(N=N2)CC3CCCN(C3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN(N=N2)C[C@H]3CCCN(C3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O3/c27-20(16-29-18-8-2-1-3-9-18)25-12-6-7-17(13-25)14-26-15-19(22-23-26)21(28)24-10-4-5-11-24/h1-3,8-9,15,17H,4-7,10-14,16H2/t17-/m0/s1