3-butyl-10-(2-pyrrolidin-1-ylethanoyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

Systemtic Name: 3-butyl-10-(2-pyrrolidin-1-ylethanoyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Openeye Name: 3-butyl-10-(2-pyrrolidin-1-ylacetyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one CAS Name: 3-butyl-10-[1-oxo-2-(1-pyrrolidinyl)ethyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one IUPAC Name: 3-butyl-10-(2-pyrrolidin-1-ylacetyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Traditional Name: 3-butyl-10-(2-pyrrolidinoacetyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=CS1)N(C3=CC=CC=C3NC2=O)C(=O)CN4CCCC4

Isomeric SMILES

CCCCC1=C2C(=CS1)N(C3=CC=CC=C3NC2=O)C(=O)CN4CCCC4

InChI

InChI=1S/C21H25N3O2S/c1-2-3-10-18-20-17(14-27-18)24(19(25)13-23-11-6-7-12-23)16-9-5-4-8-15(16)22-21(20)26/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,22,26)