N-(1,3-benzodioxol-5-ylmethyl)-3-[7-chloranyl-3-oxidanylidene-4-(phenylmethyl)quinoxalin-2-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[7-chloranyl-3-oxidanylidene-4-(phenylmethyl)quinoxalin-2-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-benzyl-7-chloro-3-oxo-quinoxalin-2-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[7-chloro-3-oxo-4-(phenylmethyl)-2-quinoxalinyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-benzyl-7-chloro-3-oxoquinoxalin-2-yl)propanamide Traditional Name: 3-(4-benzyl-7-chloro-3-keto-quinoxalin-2-yl)-N-piperonyl-propionamide Formula: C26H22ClN3O4 MolecularWeight: 475.92358

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=NC4=C(C=CC(=C4)Cl)N(C3=O)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=NC4=C(C=CC(=C4)Cl)N(C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H22ClN3O4/c27-19-7-9-22-21(13-19)29-20(26(32)30(22)15-17-4-2-1-3-5-17)8-11-25(31)28-14-18-6-10-23-24(12-18)34-16-33-23/h1-7,9-10,12-13H,8,11,14-16H2,(H,28,31)