1-cycloheptyl-4-(4-phenylmethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione

Systemtic Name: 1-cycloheptyl-4-(4-phenylmethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-benzyloxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-cycloheptyl-4-(4-phenylmethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-cycloheptyl-4-(4-phenylmethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-(4-benzoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)N2

Isomeric SMILES

C1CCCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)N2

InChI

InChI=1S/C26H29N3O3S/c30-22-17-33-24(19-12-14-21(15-13-19)32-16-18-8-4-3-5-9-18)23-25(27-22)29(28-26(23)31)20-10-6-1-2-7-11-20/h3-5,8-9,12-15,20,24H,1-2,6-7,10-11,16-17H2,(H,27,30)(H,28,31)