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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

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