2-[5-[4-(3-ethoxyphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[5-[4-(3-ethoxyphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-[4-(3-ethoxybenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-[4-[(3-ethoxyphenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-[4-(3-ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-[4-(3-ethoxybenzoyl)piperazino]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C28H27N5O5 MolecularWeight: 513.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C

InChI

InChI=1S/C28H27N5O5/c1-3-38-22-8-6-7-20(17-22)27(34)31-15-13-30(14-16-31)21-11-12-25(33(36)37)26(18-21)32-28(35)24-10-5-4-9-23(24)19(2)29-32/h4-12,17-18H,3,13-16H2,1-2H3