N-(1,3-benzodioxol-5-ylmethyl)-3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3-oxo-4-phenethylquinoxalin-2-yl)propanamide Traditional Name: 3-(3-keto-4-phenethyl-quinoxalin-2-yl)-N-piperonyl-propionamide Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=NC4=CC=CC=C4N(C3=O)CCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=NC4=CC=CC=C4N(C3=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4/c31-26(28-17-20-10-12-24-25(16-20)34-18-33-24)13-11-22-27(32)30(15-14-19-6-2-1-3-7-19)23-9-5-4-8-21(23)29-22/h1-10,12,16H,11,13-15,17-18H2,(H,28,31)