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

Systemtic Name: 4-methyl-2-[2-nitro-5-[4-(3-propan-2-yloxyphenyl)carbonylpiperazin-1-yl]phenyl]phthalazin-1-one Openeye Name: 2-[5-[4-(3-isopropoxybenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 4-methyl-2-[2-nitro-5-[4-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperazinyl]phenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[2-nitro-5-[4-(3-propan-2-yloxybenzoyl)piperazin-1-yl]phenyl]phthalazin-1-one Traditional Name: 2-[5-[4-(3-isopropoxybenzoyl)piperazino]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C29H29N5O5 MolecularWeight: 527.57106

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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(=CC=C5)OC(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(=CC=C5)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C29H29N5O5/c1-19(2)39-23-8-6-7-21(17-23)28(35)32-15-13-31(14-16-32)22-11-12-26(34(37)38)27(18-22)33-29(36)25-10-5-4-9-24(25)20(3)30-33/h4-12,17-19H,13-16H2,1-3H3