3-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]butan-2-yl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1R)-1-(4-benzylpiperazine-1-carbonyl)propyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]butan-2-yl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(2R)-1-(4-benzylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(1R)-1-(4-benzylpiperazine-1-carbonyl)propyl]-1,2,3-benzotriazin-4-one Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC[C@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H25N5O2/c1-2-20(27-21(28)18-10-6-7-11-19(18)23-24-27)22(29)26-14-12-25(13-15-26)16-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3/t20-/m1/s1