4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-3-thiophen-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-3-(2-thienyl)-3,4-dihydroisocarbostyril Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCC4(CC3)OCCO4)C5=CC=CS5

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCC4(CC3)OCCO4)C5=CC=CS5

InChI

InChI=1S/C22H24N2O4S/c1-23-19(17-7-4-14-29-17)18(15-5-2-3-6-16(15)20(23)25)21(26)24-10-8-22(9-11-24)27-12-13-28-22/h2-7,14,18-19H,8-13H2,1H3