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

Systemtic Name: 3-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[4-(4-cyanobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C23H23N6O3+ MolecularWeight: 431.46712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C23H22N6O3/c24-13-16-5-7-17(8-6-16)14-27-9-11-28(12-10-27)20(30)15-29-23(32)19-4-2-1-3-18(19)21(26-29)22(25)31/h1-8H,9-12,14-15H2,(H2,25,31)/p+1