10-[4-(azepan-1-yl)butanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

Systemtic Name: 10-[4-(azepan-1-yl)butanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Openeye Name: 10-[4-(azepan-1-yl)butanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one CAS Name: 10-[4-(1-azepanyl)-1-oxobutyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one IUPAC Name: 10-[4-(azepan-1-yl)butanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Traditional Name: 10-[4-(azepan-1-yl)butanoyl]-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:

C1CCCN(CC1)CCCC(=O)N2C3=CC=CC=C3NC(=O)C4=CSC=C42

Isomeric SMILES

C1CCCN(CC1)CCCC(=O)N2C3=CC=CC=C3NC(=O)C4=CSC=C42

InChI

InChI=1S/C21H25N3O2S/c25-20(10-7-13-23-11-5-1-2-6-12-23)24-18-9-4-3-8-17(18)22-21(26)16-14-27-15-19(16)24/h3-4,8-9,14-15H,1-2,5-7,10-13H2,(H,22,26)