3-(2-methylpropyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]phthalazine-1-carboxamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H](C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3/c1-18(2)16-29-25(31)21-11-7-6-10-20(21)23(27-29)24(30)26-22(19-8-4-3-5-9-19)17-28-12-14-32-15-13-28/h3-11,18,22H,12-17H2,1-2H3,(H,26,30)/p+1/t22-/m1/s1