N-[6-[bis(azanyl)methylideneamino]-1-[(4-ethanoylphenyl)methylamino]-1,2-bis(oxidanylidene)hexan-3-yl]-2-[[2,5-bis(fluoranyl)phenyl]methyl]-1,3-bis(oxidanylidene)-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide

Systemtic Name: N-[6-[bis(azanyl)methylideneamino]-1-[(4-ethanoylphenyl)methylamino]-1,2-bis(oxidanylidene)hexan-3-yl]-2-[[2,5-bis(fluoranyl)phenyl]methyl]-1,3-bis(oxidanylidene)-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide Openeye Name: N-[1-[2-[(4-acetylphenyl)methylamino]-2-oxo-acetyl]-4-guanidino-butyl]-2-[(2,5-difluorophenyl)methyl]-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide CAS Name: N-[1-[(4-acetylphenyl)methylamino]-6-(diaminomethylideneamino)-1,2-dioxohexan-3-yl]-2-[(2,5-difluorophenyl)methyl]-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide IUPAC Name: N-[1-[(4-acetylphenyl)methylamino]-6-(diaminomethylideneamino)-1,2-dioxohexan-3-yl]-2-[(2,5-difluorophenyl)methyl]-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide Traditional Name: N-[1-[2-[(4-acetylbenzyl)amino]-2-keto-acetyl]-4-guanidino-butyl]-2-(2,5-difluorobenzyl)-1,3-diketo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide Formula: C30H32F2N8O6 MolecularWeight: 638.621886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)CNC(=O)C(=O)C(CCCN=C(N)N)NC(=O)C2C=CCN3N2C(=O)N(C3=O)CC4=C(C=CC(=C4)F)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)CNC(=O)C(=O)C(CCCN=C(N)N)NC(=O)C2C=CCN3N2C(=O)N(C3=O)CC4=C(C=CC(=C4)F)F

InChI

InChI=1S/C30H32F2N8O6/c1-17(41)19-8-6-18(7-9-19)15-36-27(44)25(42)23(4-2-12-35-28(33)34)37-26(43)24-5-3-13-39-29(45)38(30(46)40(24)39)16-20-14-21(31)10-11-22(20)32/h3,5-11,14,23-24H,2,4,12-13,15-16H2,1H3,(H,36,44)(H,37,43)(H4,33,34,35)