N-[2-(3-methylphenoxy)ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(3-methylphenoxy)ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2-(3-methylphenoxy)ethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[2-(3-methylphenoxy)ethyl]phthalazine-1-carboxamide Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3/c1-18-8-7-11-20(16-18)31-15-14-26-24(29)23-21-12-5-6-13-22(21)25(30)28(27-23)17-19-9-3-2-4-10-19/h2-13,16H,14-15,17H2,1H3,(H,26,29)