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

Systemtic Name: 1-cycloheptyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-cycloheptyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-cycloheptyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-cycloheptyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-cycloheptyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

C1CCCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C19H22N4O4S/c24-15-11-28-17(12-6-5-9-14(10-12)23(26)27)16-18(20-15)22(21-19(16)25)13-7-3-1-2-4-8-13/h5-6,9-10,13,17H,1-4,7-8,11H2,(H,20,24)(H,21,25)