7-bromanyl-5-cyclopentyl-3-[(4-piperazin-1-ylcyclohexyl)amino]pyrido[2,3-e][1,2,4]triazin-6-one

Systemtic Name: 7-bromanyl-5-cyclopentyl-3-[(4-piperazin-1-ylcyclohexyl)amino]pyrido[2,3-e][1,2,4]triazin-6-one Openeye Name: 7-bromo-5-cyclopentyl-3-[(4-piperazin-1-ylcyclohexyl)amino]pyrido[2,3-e][1,2,4]triazin-6-one CAS Name: 7-bromo-5-cyclopentyl-3-[[4-(1-piperazinyl)cyclohexyl]amino]-6-pyrido[2,3-e][1,2,4]triazinone IUPAC Name: 7-bromo-5-cyclopentyl-3-[(4-piperazin-1-ylcyclohexyl)amino]pyrido[2,3-e][1,2,4]triazin-6-one Traditional Name: 7-bromo-5-cyclopentyl-3-[(4-piperazinocyclohexyl)amino]pyrido[2,3-e][1,2,4]triazin-6-one Formula: C21H30BrN7O MolecularWeight: 476.4132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C=C(C2=O)Br)N=NC(=N3)NC4CCC(CC4)N5CCNCC5

Isomeric SMILES

C1CCC(C1)N2C3=C(C=C(C2=O)Br)N=NC(=N3)NC4CCC(CC4)N5CCNCC5

InChI

InChI=1S/C21H30BrN7O/c22-17-13-18-19(29(20(17)30)16-3-1-2-4-16)25-21(27-26-18)24-14-5-7-15(8-6-14)28-11-9-23-10-12-28/h13-16,23H,1-12H2,(H,24,25,27)