N-(5-tert-butyl-2-methoxy-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(5-tert-butyl-2-methoxy-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC

InChI

InChI=1S/C25H31N3O3/c1-6-7-10-15-28-24(30)19-12-9-8-11-18(19)22(27-28)23(29)26-20-16-17(25(2,3)4)13-14-21(20)31-5/h8-9,11-14,16H,6-7,10,15H2,1-5H3,(H,26,29)