2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-isopropyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H28N4O3S/c1-15(2)25-20(16-7-8-17-18(13-16)28-12-6-11-27-17)22-23-21(25)29-14-19(26)24-9-4-3-5-10-24/h7-8,13,15H,3-6,9-12,14H2,1-2H3