3-butyl-N-[4-(4-ethoxyphenoxy)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[4-(4-ethoxyphenoxy)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[4-(4-ethoxyphenoxy)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[4-(4-ethoxyphenoxy)phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[4-(4-ethoxyphenoxy)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[4-(4-ethoxyphenoxy)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)OCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)OCC

InChI

InChI=1S/C27H27N3O4/c1-3-5-18-30-27(32)24-9-7-6-8-23(24)25(29-30)26(31)28-19-10-12-21(13-11-19)34-22-16-14-20(15-17-22)33-4-2/h6-17H,3-5,18H2,1-2H3,(H,28,31)