5-azanyl-1-cycloheptyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2H-pyrrol-3-one

Systemtic Name: 5-azanyl-1-cycloheptyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2H-pyrrol-3-one Openeye Name: 5-amino-1-cycloheptyl-4-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2H-pyrrol-3-one CAS Name: 5-amino-1-cycloheptyl-4-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-2H-pyrrol-3-one IUPAC Name: 5-amino-1-cycloheptyl-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2H-pyrrol-3-one Traditional Name: 5-amino-1-cycloheptyl-4-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-pyrrolin-3-one Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)C4CCCCCC4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)C4CCCCCC4)N)OC

InChI

InChI=1S/C22H27N3O3S/c1-27-18-10-9-14(11-19(18)28-2)16-13-29-22(24-16)20-17(26)12-25(21(20)23)15-7-5-3-4-6-8-15/h9-11,13,15H,3-8,12,23H2,1-2H3