3-(2-methylpropyl)-4-oxidanylidene-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[2-(pyrrolidinomethyl)benzyl]phthalazine-1-carboxamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3CN4CCCC4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3CN4CCCC4

InChI

InChI=1S/C25H30N4O2/c1-18(2)16-29-25(31)22-12-6-5-11-21(22)23(27-29)24(30)26-15-19-9-3-4-10-20(19)17-28-13-7-8-14-28/h3-6,9-12,18H,7-8,13-17H2,1-2H3,(H,26,30)