4-(3-cyclopentyloxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(3-cyclopentyloxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-[3-(cyclopentoxy)phenyl]-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3-cyclopentyloxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3-cyclopentyloxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-[3-(cyclopentoxy)phenyl]-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2)C3C4=CNNC4=NC(=O)CS3

Isomeric SMILES

C1CCC(C1)OC2=CC=CC(=C2)C3C4=CNNC4=NC(=O)CS3

InChI

InChI=1S/C17H19N3O2S/c21-15-10-23-16(14-9-18-20-17(14)19-15)11-4-3-7-13(8-11)22-12-5-1-2-6-12/h3-4,7-9,12,16H,1-2,5-6,10H2,(H2,18,19,20,21)