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

Systemtic Name: 10-(6-piperidin-1-ylhex-2-ynyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Openeye Name: 10-[6-(1-piperidyl)hex-2-ynyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one CAS Name: 10-[6-(1-piperidinyl)hex-2-ynyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one IUPAC Name: 10-(6-piperidin-1-ylhex-2-ynyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Traditional Name: 10-(6-piperidinohex-2-ynyl)-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS/c26-22-18-16-27-17-21(18)25(20-11-5-4-10-19(20)23-22)15-9-2-1-6-12-24-13-7-3-8-14-24/h4-5,10-11,16-17H,1,3,6-8,12-15H2,(H,23,26)