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

Systemtic Name: 3-methyl-4-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]phthalazine-1-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C27H28N5O2+ MolecularWeight: 454.54352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2/c1-30-27(34)24-10-6-5-9-23(24)25(29-30)26(33)28-21-11-13-22(14-12-21)32-17-15-31(16-18-32)19-20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,28,33)/p+1