1,3-dimethyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

Systemtic Name: 1,3-dimethyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Openeye Name: 1,3-dimethyl-10-[6-(1-piperidyl)hex-2-ynyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one CAS Name: 1,3-dimethyl-10-[6-(1-piperidinyl)hex-2-ynyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one IUPAC Name: 1,3-dimethyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Traditional Name: 1,3-dimethyl-10-(6-piperidinohex-2-ynyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Formula: C24H29N3OS MolecularWeight: 407.57156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(S1)C)N(C3=CC=CC=C3NC2=O)CC#CCCCN4CCCCC4

Isomeric SMILES

CC1=C2C(=C(S1)C)N(C3=CC=CC=C3NC2=O)CC#CCCCN4CCCCC4

InChI

InChI=1S/C24H29N3OS/c1-18-22-23(19(2)29-18)27(21-13-7-6-12-20(21)25-24(22)28)17-11-4-3-8-14-26-15-9-5-10-16-26/h6-7,12-13H,3,5,8-10,14-17H2,1-2H3,(H,25,28)