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

Systemtic Name: 1-cyclopentyl-4-(4-phenylmethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-benzyloxyphenyl)-1-cyclopentyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-cyclopentyl-4-(4-phenylmethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-cyclopentyl-4-(4-phenylmethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-(4-benzoxyphenyl)-1-cyclopentyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)N2

Isomeric SMILES

C1CCC(C1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)N2

InChI

InChI=1S/C24H25N3O3S/c28-20-15-31-22(21-23(25-20)27(26-24(21)29)18-8-4-5-9-18)17-10-12-19(13-11-17)30-14-16-6-2-1-3-7-16/h1-3,6-7,10-13,18,22H,4-5,8-9,14-15H2,(H,25,28)(H,26,29)