N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-(benzofuran-2-yl)ethylideneamino]-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(2-benzofuranyl)ethylideneamino]-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-1-(benzofuran-2-yl)ethylideneamino]-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\C)/C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H22N4O3/c1-3-4-13-27-23(29)18-11-7-6-10-17(18)21(26-27)22(28)25-24-15(2)20-14-16-9-5-8-12-19(16)30-20/h5-12,14H,3-4,13H2,1-2H3,(H,25,28)/b24-15+