2-methyl-4-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]phthalazin-1-one Openeye Name: 2-methyl-4-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[3-nitro-4-(4-phenyl-1-piperazinyl)phenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]phthalazin-1-one Traditional Name: 2-methyl-4-[3-nitro-4-(4-phenylpiperazino)phenyl]phthalazin-1-one Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCN(CC4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3/c1-27-25(31)21-10-6-5-9-20(21)24(26-27)18-11-12-22(23(17-18)30(32)33)29-15-13-28(14-16-29)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3