2-ethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-ethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-ethyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-ethyl-4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-ethyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-ethyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-2-25-20(27)18-6-4-3-5-17(18)19(22-25)21(28)24-13-11-23(12-14-24)15-7-9-16(10-8-15)26(29)30/h3-10H,2,11-14H2,1H3