4-oxidanylidene-3-(phenylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(2-pyrrolidin-1-ium-1-ylethyl)phthalazine-1-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c27-21(23-12-15-25-13-6-7-14-25)20-18-10-4-5-11-19(18)22(28)26(24-20)16-17-8-2-1-3-9-17/h1-5,8-11H,6-7,12-16H2,(H,23,27)/p+1