1-(4-chlorophenyl)-3-[6-[1-[3-[(4-chlorophenyl)carbamoylamino]-5-oxidanylidene-imidazo[2,1-c][1,2,4]triazol-6-yl]-2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-5-oxidanylidene-imidazo[2,1-c][1,2,4]triazol-3-yl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[6-[1-[3-[(4-chlorophenyl)carbamoylamino]-5-oxidanylidene-imidazo[2,1-c][1,2,4]triazol-6-yl]-2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-5-oxidanylidene-imidazo[2,1-c][1,2,4]triazol-3-yl]urea Openeye Name: 1-(4-chlorophenyl)-3-[6-[1-[3-[(4-chlorophenyl)carbamoylamino]-5-oxo-imidazo[2,1-c][1,2,4]triazol-6-yl]-2-(4-fluorophenyl)-2-oxo-ethyl]-5-oxo-imidazo[2,1-c][1,2,4]triazol-3-yl]urea CAS Name: 1-[6-[1-[3-[[(4-chloroanilino)-oxomethyl]amino]-5-oxo-6-imidazo[2,1-c][1,2,4]triazolyl]-2-(4-fluorophenyl)-2-oxoethyl]-5-oxo-3-imidazo[2,1-c][1,2,4]triazolyl]-3-(4-chlorophenyl)urea IUPAC Name: 1-(4-chlorophenyl)-3-[6-[1-[3-[(4-chlorophenyl)carbamoylamino]-5-oxoimidazo[2,1-c][1,2,4]triazol-6-yl]-2-(4-fluorophenyl)-2-oxoethyl]-5-oxoimidazo[2,1-c][1,2,4]triazol-3-yl]urea Traditional Name: 1-(4-chlorophenyl)-3-[6-[1-[3-[(4-chlorophenyl)carbamoylamino]-5-keto-imidazo[2,1-c][1,2,4]triazol-6-yl]-2-(4-fluorophenyl)-2-keto-ethyl]-5-keto-imidazo[2,1-c][1,2,4]triazol-3-yl]urea Formula: C30H17Cl2FN12O5 MolecularWeight: 715.437783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(C2=NC3=NN=C(N3C2=O)NC(=O)NC4=CC=C(C=C4)Cl)C5=NC6=NN=C(N6C5=O)NC(=O)NC7=CC=C(C=C7)Cl)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(C2=NC3=NN=C(N3C2=O)NC(=O)NC4=CC=C(C=C4)Cl)C5=NC6=NN=C(N6C5=O)NC(=O)NC7=CC=C(C=C7)Cl)F

InChI

InChI=1S/C30H17Cl2FN12O5/c31-14-3-9-17(10-4-14)34-29(49)38-27-42-40-25-36-20(23(47)44(25)27)19(22(46)13-1-7-16(33)8-2-13)21-24(48)45-26(37-21)41-43-28(45)39-30(50)35-18-11-5-15(32)6-12-18/h1-12,19H,(H2,34,38,42,49)(H2,35,39,43,50)