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

Systemtic Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-azanyl-4-methyl-pentanoate Openeye Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-amino-4-methyl-pentanoate CAS Name: 3-amino-4-methylpentanoic 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-methylpentanoate Traditional Name: 3-amino-4-methyl-valeric acid [2-[[N'-(6-phenylpyridazin-3-yl)amidino]amino]phenyl] ester Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O2/c1-15(2)17(24)14-22(30)31-20-11-7-6-10-19(20)26-23(25)27-21-13-12-18(28-29-21)16-8-4-3-5-9-16/h3-13,15,17H,14,24H2,1-2H3,(H3,25,26,27,29)