3-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(4-ethoxyphenyl)-N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-keto-3-p-phenetyl-phthalazine-1-carboxamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OCC

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C24H28N4O3/c1-3-27-15-7-8-18(27)16-25-23(29)22-20-9-5-6-10-21(20)24(30)28(26-22)17-11-13-19(14-12-17)31-4-2/h5-6,9-14,18H,3-4,7-8,15-16H2,1-2H3,(H,25,29)/p+1