(2S)-2-(6-chloranylbenzotriazol-1-yl)oxy-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(6-chloranylbenzotriazol-1-yl)oxy-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: (2S)-1-(4-benzyl-1-piperidyl)-2-(6-chlorobenzotriazol-1-yl)oxy-propan-1-one CAS Name: (2S)-2-[(6-chloro-1-benzotriazolyl)oxy]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: (2S)-1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxypropan-1-one Traditional Name: (2S)-1-(4-benzylpiperidino)-2-(6-chlorobenzotriazol-1-yl)oxy-propan-1-one Formula: C21H23ClN4O2 MolecularWeight: 398.88592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)ON3C4=C(C=CC(=C4)Cl)N=N3

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)ON3C4=C(C=CC(=C4)Cl)N=N3

InChI

InChI=1S/C21H23ClN4O2/c1-15(28-26-20-14-18(22)7-8-19(20)23-24-26)21(27)25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14-15,17H,9-13H2,1H3/t15-/m0/s1