4-oxidanylidene-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-phenyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]phthalazine-1-carboxamide Formula: C27H27N4O2+ MolecularWeight: 439.52888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2/c32-26(28-18-20-10-4-5-11-21(20)19-30-16-8-9-17-30)25-23-14-6-7-15-24(23)27(33)31(29-25)22-12-2-1-3-13-22/h1-7,10-15H,8-9,16-19H2,(H,28,32)/p+1