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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl]phthalazine-1-carboxamide Openeye Name: 3-[2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 4-oxo-3-[2-oxo-2-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-[2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C28H29N6O3+ MolecularWeight: 497.56826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)N

InChI

InChI=1S/C28H28N6O3/c29-27(36)26-23-8-4-5-9-24(23)28(37)34(31-26)19-25(35)30-21-10-12-22(13-11-21)33-16-14-32(15-17-33)18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H2,29,36)(H,30,35)/p+1