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

Systemtic Name: N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(4-isopentyloxyphenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[(4-isoamoxybenzylidene)amino]-4-keto-phthalazine-1-carboxamide Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C28H28N4O3/c1-20(2)16-17-35-23-14-12-21(13-15-23)18-29-30-27(33)26-24-10-6-7-11-25(24)28(34)32(31-26)19-22-8-4-3-5-9-22/h3-15,18,20H,16-17,19H2,1-2H3,(H,30,33)