3-hexyl-N-(2-methyl-6-propan-2-yl-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-hexyl-N-(2-methyl-6-propan-2-yl-phenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-hexyl-N-(2-isopropyl-6-methyl-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-hexyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-hexyl-N-(2-isopropyl-6-methyl-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC=C3C(C)C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC=C3C(C)C)C

InChI

InChI=1S/C25H31N3O2/c1-5-6-7-10-16-28-25(30)21-14-9-8-13-20(21)23(27-28)24(29)26-22-18(4)12-11-15-19(22)17(2)3/h8-9,11-15,17H,5-7,10,16H2,1-4H3,(H,26,29)