N-methyl-4-oxidanylidene-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-methyl-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-keto-N-methyl-3-phenyl-phthalazine-1-carboxamide Formula: C29H30N5O3+ MolecularWeight: 496.5802

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O3/c1-31(21-26(35)33-18-16-32(17-19-33)20-22-10-4-2-5-11-22)29(37)27-24-14-8-9-15-25(24)28(36)34(30-27)23-12-6-3-7-13-23/h2-15H,16-21H2,1H3/p+1