2-[5-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[5-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-[4-(4-ethylbenzoyl)piperazino]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C

InChI

InChI=1S/C28H27N5O4/c1-3-20-8-10-21(11-9-20)27(34)31-16-14-30(15-17-31)22-12-13-25(33(36)37)26(18-22)32-28(35)24-7-5-4-6-23(24)19(2)29-32/h4-13,18H,3,14-17H2,1-2H3