N-cyclopropyl-2-[4-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(4-oxo-3-phenyl-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(4-oxo-3-phenylphthalazine-1-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(4-keto-3-phenyl-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C24H26N5O3+ MolecularWeight: 432.49494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C24H25N5O3/c30-21(25-17-10-11-17)16-27-12-14-28(15-13-27)24(32)22-19-8-4-5-9-20(19)23(31)29(26-22)18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,25,30)/p+1