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

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]phthalazine-1-carboxamide Formula: C28H29N4O3+ MolecularWeight: 469.55486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c33-27(29-18-22-10-4-5-11-23(22)20-31-14-16-35-17-15-31)26-24-12-6-7-13-25(24)28(34)32(30-26)19-21-8-2-1-3-9-21/h1-13H,14-20H2,(H,29,33)/p+1