3-[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]-1,2,3-benzotriazin-4-one Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H21N5O2/c1-15(25-20(27)17-9-5-6-10-18(17)21-22-25)19(26)24-13-11-23(12-14-24)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3/t15-/m0/s1