[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-azanyl-5-methyl-hexanoate

Systemtic Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-azanyl-5-methyl-hexanoate Openeye Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-amino-5-methyl-hexanoate CAS Name: 3-amino-5-methylhexanoic 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-5-methylhexanoate Traditional Name: 3-amino-5-methyl-hexanoic acid [2-[[N'-(6-phenylpyridazin-3-yl)amidino]amino]phenyl] ester Formula: C24H28N6O2 MolecularWeight: 432.51812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O2/c1-16(2)14-18(25)15-23(31)32-21-11-7-6-10-20(21)27-24(26)28-22-13-12-19(29-30-22)17-8-4-3-5-9-17/h3-13,16,18H,14-15,25H2,1-2H3,(H3,26,27,28,30)