[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-azanyl-3-cyclohex-3-en-1-yl-propanoate

Systemtic Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-azanyl-3-cyclohex-3-en-1-yl-propanoate Openeye Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 3-amino-3-cyclohex-3-en-1-yl-propanoate CAS Name: 3-amino-3-(1-cyclohex-3-enyl)propanoic 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-3-cyclohex-3-en-1-ylpropanoate Traditional Name: 3-amino-3-cyclohex-3-en-1-yl-propionic acid [2-[[N'-(6-phenylpyridazin-3-yl)amidino]amino]phenyl] ester Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(CC(=O)OC2=CC=CC=C2NC(=NC3=NN=C(C=C3)C4=CC=CC=C4)N)N

Isomeric SMILES

C1CC(CC=C1)C(CC(=O)OC2=CC=CC=C2NC(=NC3=NN=C(C=C3)C4=CC=CC=C4)N)N

InChI

InChI=1S/C26H28N6O2/c27-20(18-9-3-1-4-10-18)17-25(33)34-23-14-8-7-13-22(23)29-26(28)30-24-16-15-21(31-32-24)19-11-5-2-6-12-19/h1-3,5-8,11-16,18,20H,4,9-10,17,27H2,(H3,28,29,30,32)