7-bromanyl-5-cyclopentyl-8-methyl-3-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-e][1,2,4]triazin-6-one

Systemtic Name: 7-bromanyl-5-cyclopentyl-8-methyl-3-[(4-piperazin-1-ylphenyl)amino]pyrido[2,3-e][1,2,4]triazin-6-one Openeye Name: 7-bromo-5-cyclopentyl-8-methyl-3-(4-piperazin-1-ylanilino)pyrido[2,3-e][1,2,4]triazin-6-one CAS Name: 7-bromo-5-cyclopentyl-8-methyl-3-[4-(1-piperazinyl)anilino]-6-pyrido[2,3-e][1,2,4]triazinone IUPAC Name: 7-bromo-5-cyclopentyl-8-methyl-3-(4-piperazin-1-ylanilino)pyrido[2,3-e][1,2,4]triazin-6-one Traditional Name: 7-bromo-5-cyclopentyl-8-methyl-3-(4-piperazinoanilino)pyrido[2,3-e][1,2,4]triazin-6-one Formula: C22H26BrN7O MolecularWeight: 484.39214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C2=C1N=NC(=N2)NC3=CC=C(C=C3)N4CCNCC4)C5CCCC5)Br

Isomeric SMILES

CC1=C(C(=O)N(C2=C1N=NC(=N2)NC3=CC=C(C=C3)N4CCNCC4)C5CCCC5)Br

InChI

InChI=1S/C22H26BrN7O/c1-14-18(23)21(31)30(17-4-2-3-5-17)20-19(14)27-28-22(26-20)25-15-6-8-16(9-7-15)29-12-10-24-11-13-29/h6-9,17,24H,2-5,10-13H2,1H3,(H,25,26,28)