3-[2-(1,3-benzodioxol-5-yl)-5-oxidanylidene-1H-1,4-benzodiazepin-4-yl]-N-methyl-propanamide

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-5-oxidanylidene-1H-1,4-benzodiazepin-4-yl]-N-methyl-propanamide Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-5-oxo-1H-1,4-benzodiazepin-4-yl]-N-methyl-propanamide CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-5-oxo-1H-1,4-benzodiazepin-4-yl]-N-methylpropanamide IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-5-oxo-1H-1,4-benzodiazepin-4-yl]-N-methylpropanamide Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-5-keto-1H-1,4-benzodiazepin-4-yl]-N-methyl-propionamide Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCN1C=C(NC2=CC=CC=C2C1=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CNC(=O)CCN1C=C(NC2=CC=CC=C2C1=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O4/c1-21-19(24)8-9-23-11-16(13-6-7-17-18(10-13)27-12-26-17)22-15-5-3-2-4-14(15)20(23)25/h2-7,10-11,22H,8-9,12H2,1H3,(H,21,24)