N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(3-morpholin-4-ium-4-ylpropyl)phthalazine-1-carboxamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3/c28-22(24-11-6-12-26-13-15-30-16-14-26)21-19-9-4-5-10-20(19)23(29)27(25-21)17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,28)/p+1