1-methyl-10-(2-methyl-7-piperidin-1-yl-hept-3-yn-2-yl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

Systemtic Name: 1-methyl-10-(2-methyl-7-piperidin-1-yl-hept-3-yn-2-yl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Openeye Name: 10-[1,1-dimethyl-6-(1-piperidyl)hex-2-ynyl]-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one CAS Name: 1-methyl-10-[2-methyl-7-(1-piperidinyl)hept-3-yn-2-yl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one IUPAC Name: 1-methyl-10-(2-methyl-7-piperidin-1-ylhept-3-yn-2-yl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Traditional Name: 10-(1,1-dimethyl-6-piperidino-hex-2-ynyl)-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Formula: C25H31N3OS MolecularWeight: 421.59814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(C)(C)C#CCCCN4CCCCC4

Isomeric SMILES

CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(C)(C)C#CCCCN4CCCCC4

InChI

InChI=1S/C25H31N3OS/c1-19-23-20(18-30-19)24(29)26-21-12-6-7-13-22(21)28(23)25(2,3)14-8-4-9-15-27-16-10-5-11-17-27/h6-7,12-13,18H,4-5,9-11,15-17H2,1-3H3,(H,26,29)