4-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one

Systemtic Name: 4-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]-2-pentyl-phthalazin-1-one CAS Name: 4-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C24H26ClN5O4 MolecularWeight: 483.94734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H26ClN5O4/c1-2-3-6-11-29-23(31)19-8-5-4-7-18(19)22(26-29)24(32)28-14-12-27(13-15-28)20-10-9-17(25)16-21(20)30(33)34/h4-5,7-10,16H,2-3,6,11-15H2,1H3