(2S)-2-(6-chloranylbenzotriazol-1-yl)oxy-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-(6-chloranylbenzotriazol-1-yl)oxy-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(6-chlorobenzotriazol-1-yl)oxy-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-[(6-chloro-1-benzotriazolyl)oxy]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-(6-chlorobenzotriazol-1-yl)oxy-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-(6-chlorobenzotriazol-1-yl)oxy-1-(4-phenylpiperazino)propan-1-one Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)ON3C4=C(C=CC(=C4)Cl)N=N3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)ON3C4=C(C=CC(=C4)Cl)N=N3

InChI

InChI=1S/C19H20ClN5O2/c1-14(27-25-18-13-15(20)7-8-17(18)21-22-25)19(26)24-11-9-23(10-12-24)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3/t14-/m0/s1