N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-benzyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-benzyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-homopiperonyl-4-keto-phthalazine-1-carboxamide Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O4/c29-24(26-13-12-17-10-11-21-22(14-17)32-16-31-21)23-19-8-4-5-9-20(19)25(30)28(27-23)15-18-6-2-1-3-7-18/h1-11,14H,12-13,15-16H2,(H,26,29)