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

Systemtic Name: N,N-diethyl-2-[4-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-(4-oxo-3-phenyl-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-(4-oxo-3-phenylphthalazine-1-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-(4-keto-3-phenyl-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C25H30N5O3+ MolecularWeight: 448.5374

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O3/c1-3-28(4-2)22(31)18-27-14-16-29(17-15-27)25(33)23-20-12-8-9-13-21(20)24(32)30(26-23)19-10-6-5-7-11-19/h5-13H,3-4,14-18H2,1-2H3/p+1