3-butyl-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(E)-(4-isopentyloxyphenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(E)-(4-isoamoxybenzylidene)amino]-4-keto-phthalazine-1-carboxamide Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=C(C=C3)OCCC(C)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC=C(C=C3)OCCC(C)C

InChI

InChI=1S/C25H30N4O3/c1-4-5-15-29-25(31)22-9-7-6-8-21(22)23(28-29)24(30)27-26-17-19-10-12-20(13-11-19)32-16-14-18(2)3/h6-13,17-18H,4-5,14-16H2,1-3H3,(H,27,30)/b26-17+