10-[6-(azepan-1-yl)hex-4-ynoyl]-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

Systemtic Name: 10-[6-(azepan-1-yl)hex-4-ynoyl]-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Openeye Name: 10-[6-(azepan-1-yl)hex-4-ynoyl]-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one CAS Name: 10-[6-(1-azepanyl)-1-oxohex-4-ynyl]-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one IUPAC Name: 10-[6-(azepan-1-yl)hex-4-ynoyl]-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Traditional Name: 10-[6-(azepan-1-yl)hex-4-ynoyl]-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CCC#CCN4CCCCCC4

Isomeric SMILES

CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CCC#CCN4CCCCCC4

InChI

InChI=1S/C24H27N3O2S/c1-18-23-19(17-30-18)24(29)25-20-11-6-7-12-21(20)27(23)22(28)13-5-4-10-16-26-14-8-2-3-9-15-26/h6-7,11-12,17H,2-3,5,8-9,13-16H2,1H3,(H,25,29)