4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxybenzene-1,2-dicarbonitrile

Systemtic Name: 4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxybenzene-1,2-dicarbonitrile Openeye Name: 4-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxyphthalonitrile CAS Name: 4-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]benzene-1,2-dicarbonitrile IUPAC Name: 4-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxybenzene-1,2-dicarbonitrile Traditional Name: 4-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]oxyphthalonitrile Formula: C23H19N7O3 MolecularWeight: 441.44206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CC(=C(C=C4)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CC(=C(C=C4)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H19N7O3/c24-13-18-6-7-20(12-19(18)14-25)33-23-21(30(31)32)22(26-16-27-23)29-10-8-28(9-11-29)15-17-4-2-1-3-5-17/h1-7,12,16H,8-11,15H2