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

Systemtic Name: 4-(3-cyclopentyloxy-4-methoxy-phenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=CNNC3=NC(=O)CS2)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=CNNC3=NC(=O)CS2)OC4CCCC4

InChI

InChI=1S/C18H21N3O3S/c1-23-14-7-6-11(8-15(14)24-12-4-2-3-5-12)17-13-9-19-21-18(13)20-16(22)10-25-17/h6-9,12,17H,2-5,10H2,1H3,(H2,19,20,21,22)