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

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]phthalazine-1-carboxamide Formula: C28H29N4O2+ MolecularWeight: 453.55546

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c33-27(29-18-22-12-4-5-13-23(22)20-31-16-8-9-17-31)26-24-14-6-7-15-25(24)28(34)32(30-26)19-21-10-2-1-3-11-21/h1-7,10-15H,8-9,16-20H2,(H,29,33)/p+1