5-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one

Systemtic Name: 5-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one Openeye Name: 5-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one CAS Name: 5-methyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one IUPAC Name: 5-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one Traditional Name: 5-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(NC(=N1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(NC(=N1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O4/c1-15-20(28)26(17-5-3-2-4-6-17)23-19(22-15)21(29)25-13-11-24(12-14-25)16-7-9-18(10-8-16)27(30)31/h2-10,15H,11-14H2,1H3,(H,22,23)