3-hexyl-4-oxidanylidene-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide

Systemtic Name: 3-hexyl-4-oxidanylidene-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide Openeye Name: 3-hexyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide CAS Name: 3-hexyl-4-oxo-N-[2-(1-pyrrolidinyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-(2-pyrrolidinophenyl)phthalazine-1-carboxamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3N4CCCC4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C25H30N4O2/c1-2-3-4-9-18-29-25(31)20-13-6-5-12-19(20)23(27-29)24(30)26-21-14-7-8-15-22(21)28-16-10-11-17-28/h5-8,12-15H,2-4,9-11,16-18H2,1H3,(H,26,30)