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

Systemtic Name: 1-chloranyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Openeye Name: 1-chloro-10-[6-(1-piperidyl)hex-2-ynyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one CAS Name: 1-chloro-10-[6-(1-piperidinyl)hex-2-ynyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one IUPAC Name: 1-chloro-10-(6-piperidin-1-ylhex-2-ynyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Traditional Name: 1-chloro-10-(6-piperidinohex-2-ynyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC#CCN2C3=CC=CC=C3NC(=O)C4=CSC(=C42)Cl

Isomeric SMILES

C1CCN(CC1)CCCC#CCN2C3=CC=CC=C3NC(=O)C4=CSC(=C42)Cl

InChI

InChI=1S/C22H24ClN3OS/c23-21-20-17(16-28-21)22(27)24-18-10-4-5-11-19(18)26(20)15-9-2-1-6-12-25-13-7-3-8-14-25/h4-5,10-11,16H,1,3,6-8,12-15H2,(H,24,27)