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

Systemtic Name: 2-[5-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-[4-(4-tert-butylbenzoyl)piperazino]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C30H31N5O4 MolecularWeight: 525.59824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C30H31N5O4/c1-20-24-7-5-6-8-25(24)29(37)34(31-20)27-19-23(13-14-26(27)35(38)39)32-15-17-33(18-16-32)28(36)21-9-11-22(12-10-21)30(2,3)4/h5-14,19H,15-18H2,1-4H3