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

Systemtic Name: 4-methyl-2-[2-nitro-5-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]phenyl]phthalazin-1-one Openeye Name: 2-[5-[4-(4-isopropylbenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 4-methyl-2-[2-nitro-5-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]phenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[2-nitro-5-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]phenyl]phthalazin-1-one Traditional Name: 2-[5-(4-cumoylpiperazino)-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C29H29N5O4 MolecularWeight: 511.57166

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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)[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)[N+](=O)[O-]

InChI

InChI=1S/C29H29N5O4/c1-19(2)21-8-10-22(11-9-21)28(35)32-16-14-31(15-17-32)23-12-13-26(34(37)38)27(18-23)33-29(36)25-7-5-4-6-24(25)20(3)30-33/h4-13,18-19H,14-17H2,1-3H3