N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[2-(3,4-diethoxyphenyl)ethyl]-4-keto-phthalazine-1-carboxamide Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC(=C(C=C3)OCC)OCC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC(=C(C=C3)OCC)OCC

InChI

InChI=1S/C26H33N3O4/c1-4-7-10-17-29-26(31)21-12-9-8-11-20(21)24(28-29)25(30)27-16-15-19-13-14-22(32-5-2)23(18-19)33-6-3/h8-9,11-14,18H,4-7,10,15-17H2,1-3H3,(H,27,30)