2-[4-[(4-bromophenyl)amino]-6-indol-1-yl-1,3,5-triazin-2-yl]-5-methyl-4H-pyrazol-3-one

Systemtic Name: 2-[4-[(4-bromophenyl)amino]-6-indol-1-yl-1,3,5-triazin-2-yl]-5-methyl-4H-pyrazol-3-one Openeye Name: 2-[4-(4-bromoanilino)-6-indol-1-yl-1,3,5-triazin-2-yl]-5-methyl-4H-pyrazol-3-one CAS Name: 2-[4-(4-bromoanilino)-6-(1-indolyl)-1,3,5-triazin-2-yl]-5-methyl-4H-pyrazol-3-one IUPAC Name: 2-[4-(4-bromoanilino)-6-indol-1-yl-1,3,5-triazin-2-yl]-5-methyl-4H-pyrazol-3-one Traditional Name: 2-[4-(4-bromoanilino)-6-indol-1-yl-s-triazin-2-yl]-5-methyl-2-pyrazolin-3-one Formula: C21H16BrN7O MolecularWeight: 462.30204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=NC(=NC(=N2)N3C=CC4=CC=CC=C43)NC5=CC=C(C=C5)Br

Isomeric SMILES

CC1=NN(C(=O)C1)C2=NC(=NC(=N2)N3C=CC4=CC=CC=C43)NC5=CC=C(C=C5)Br

InChI

InChI=1S/C21H16BrN7O/c1-13-12-18(30)29(27-13)21-25-19(23-16-8-6-15(22)7-9-16)24-20(26-21)28-11-10-14-4-2-3-5-17(14)28/h2-11H,12H2,1H3,(H,23,24,25,26)