10-[6-(azepan-2-yl)hex-2-ynyl]-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

Systemtic Name: 10-[6-(azepan-2-yl)hex-2-ynyl]-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Openeye Name: 10-[6-(azepan-2-yl)hex-2-ynyl]-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one CAS Name: 10-[6-(2-azepanyl)hex-2-ynyl]-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one IUPAC Name: 10-[6-(azepan-2-yl)hex-2-ynyl]-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Traditional Name: 10-[6-(azepan-2-yl)hex-2-ynyl]-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Formula: C24H29N3OS MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2CC#CCCCC4CCCCCN4

Isomeric SMILES

CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2CC#CCCCC4CCCCCN4

InChI

InChI=1S/C24H29N3OS/c1-18-23-20(17-29-18)24(28)26-21-13-7-8-14-22(21)27(23)16-10-3-2-5-11-19-12-6-4-9-15-25-19/h7-8,13-14,17,19,25H,2,4-6,9,11-12,15-16H2,1H3,(H,26,28)