4-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 4-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 4-methyl-2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 4-methyl-2-[[4-(4-nitrophenyl)piperazino]methyl]phthalazin-1-one Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-15-18-4-2-3-5-19(18)20(26)24(21-15)14-22-10-12-23(13-11-22)16-6-8-17(9-7-16)25(27)28/h2-9H,10-14H2,1H3