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

Systemtic Name: 1-methyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Openeye Name: 1-methyl-10-[6-(1-piperidyl)hex-2-ynyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one CAS Name: 1-methyl-10-[6-(1-piperidinyl)hex-2-ynyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one IUPAC Name: 1-methyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Traditional Name: 1-methyl-10-(6-piperidinohex-2-ynyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2CC#CCCCN4CCCCC4

Isomeric SMILES

CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2CC#CCCCN4CCCCC4

InChI

InChI=1S/C23H27N3OS/c1-18-22-19(17-28-18)23(27)24-20-11-5-6-12-21(20)26(22)16-10-3-2-7-13-25-14-8-4-9-15-25/h5-6,11-12,17H,2,4,7-9,13-16H2,1H3,(H,24,27)