1-cyclohexyl-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 1-cyclohexyl-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(4-benzyloxyphenyl)-1-cyclohexyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 1-cyclohexyl-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 1-cyclohexyl-3-methyl-4-(4-phenylmethoxyphenyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(4-benzoxyphenyl)-1-cyclohexyl-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C26H29N3O2S MolecularWeight: 447.59236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3CCCCC3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H29N3O2S/c1-18-24-25(20-12-14-22(15-13-20)31-16-19-8-4-2-5-9-19)32-17-23(30)27-26(24)29(28-18)21-10-6-3-7-11-21/h2,4-5,8-9,12-15,21,25,28H,3,6-7,10-11,16-17H2,1H3