1-[(3S)-3-phenethylpiperidin-1-yl]-3-(1,2,3,4-tetrazol-1-yl)propan-1-one

Systemtic Name: 1-[(3S)-3-phenethylpiperidin-1-yl]-3-(1,2,3,4-tetrazol-1-yl)propan-1-one Openeye Name: 1-[(3S)-3-phenethyl-1-piperidyl]-3-(tetrazol-1-yl)propan-1-one CAS Name: 1-[(3S)-3-phenethyl-1-piperidinyl]-3-(1-tetrazolyl)-1-propanone IUPAC Name: 1-[(3S)-3-phenethylpiperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one Traditional Name: 1-[(3S)-3-phenethylpiperidino]-3-(tetrazol-1-yl)propan-1-one Formula: C17H23N5O MolecularWeight: 313.39742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCN2C=NN=N2)CCC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCN2C=NN=N2)CCC3=CC=CC=C3

InChI

InChI=1S/C17H23N5O/c23-17(10-12-22-14-18-19-20-22)21-11-4-7-16(13-21)9-8-15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2/t16-/m1/s1