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

Systemtic Name: 3-butyl-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[(E)-[4-(p-tolylmethoxy)phenyl]methyleneamino]phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(E)-[4-(4-methylbenzyl)oxybenzylidene]amino]phthalazine-1-carboxamide Formula: C28H28N4O3 MolecularWeight: 468.54692

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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)OCC4=CC=C(C=C4)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC=C(C=C3)OCC4=CC=C(C=C4)C

InChI

InChI=1S/C28H28N4O3/c1-3-4-17-32-28(34)25-8-6-5-7-24(25)26(31-32)27(33)30-29-18-21-13-15-23(16-14-21)35-19-22-11-9-20(2)10-12-22/h5-16,18H,3-4,17,19H2,1-2H3,(H,30,33)/b29-18+