6-chloranyl-4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxy-3-phenyl-pyridazine

Systemtic Name: 6-chloranyl-4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxy-3-phenyl-pyridazine Openeye Name: 4-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-6-chloro-3-phenyl-pyridazine CAS Name: 6-chloro-4-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]-3-phenylpyridazine IUPAC Name: 4-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxy-6-chloro-3-phenylpyridazine Traditional Name: 4-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]oxy-6-chloro-3-phenyl-pyridazine Formula: C25H22ClN7O3 MolecularWeight: 503.94028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CC(=NN=C4C5=CC=CC=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CC(=NN=C4C5=CC=CC=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H22ClN7O3/c26-21-15-20(22(30-29-21)19-9-5-2-6-10-19)36-25-23(33(34)35)24(27-17-28-25)32-13-11-31(12-14-32)16-18-7-3-1-4-8-18/h1-10,15,17H,11-14,16H2