6-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[3-(4-benzylpiperazino)-3-keto-propyl]-2H-1,2,4-triazine-3,5-quinone Formula: C17H21N5O3 MolecularWeight: 343.38034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCC3=NNC(=O)NC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCC3=NNC(=O)NC3=O

InChI

InChI=1S/C17H21N5O3/c23-15(7-6-14-16(24)18-17(25)20-19-14)22-10-8-21(9-11-22)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H2,18,20,24,25)