[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-azanyl-4-ethyl-hexanoate

Systemtic Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-azanyl-4-ethyl-hexanoate Openeye Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-amino-4-ethyl-hexanoate CAS Name: 3-amino-4-ethylhexanoic acid [2-[[amino-[(6-phenyl-3-pyridazinyl)imino]methyl]amino]phenyl] ester IUPAC Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-amino-4-ethylhexanoate Traditional Name: 3-amino-4-ethyl-hexanoic acid [2-[[N'-(6-phenylpyridazin-3-yl)amidino]amino]phenyl] ester Formula: C25H30N6O2 MolecularWeight: 446.5447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CC(=O)OC1=CC=CC=C1NC(=NC2=NN=C(C=C2)C3=CC=CC=C3)N)N

Isomeric SMILES

CCC(CC)C(CC(=O)OC1=CC=CC=C1NC(=NC2=NN=C(C=C2)C3=CC=CC=C3)N)N

InChI

InChI=1S/C25H30N6O2/c1-3-17(4-2)19(26)16-24(32)33-22-13-9-8-12-21(22)28-25(27)29-23-15-14-20(30-31-23)18-10-6-5-7-11-18/h5-15,17,19H,3-4,16,26H2,1-2H3,(H3,27,28,29,31)