4-(4-chlorophenyl)-2-[2-nitro-5-(4-propanoylpiperazin-1-yl)phenyl]phthalazin-1-one

Systemtic Name: 4-(4-chlorophenyl)-2-[2-nitro-5-(4-propanoylpiperazin-1-yl)phenyl]phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-[2-nitro-5-(4-propanoylpiperazin-1-yl)phenyl]phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[2-nitro-5-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-[2-nitro-5-(4-propanoylpiperazin-1-yl)phenyl]phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-[2-nitro-5-(4-propionylpiperazino)phenyl]phthalazin-1-one Formula: C27H24ClN5O4 MolecularWeight: 517.96356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H24ClN5O4/c1-2-25(34)31-15-13-30(14-16-31)20-11-12-23(33(36)37)24(17-20)32-27(35)22-6-4-3-5-21(22)26(29-32)18-7-9-19(28)10-8-18/h3-12,17H,2,13-16H2,1H3