7-[4-[4-(7-oxidanyl-1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one

Systemtic Name: 7-[4-[4-(7-oxidanyl-1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one Openeye Name: 7-[4-[4-(7-hydroxybenzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one CAS Name: 7-[4-[4-(7-hydroxy-1-benzothiophen-4-yl)-1-piperazinyl]butoxy]-1H-quinolin-2-one IUPAC Name: 7-[4-[4-(7-hydroxy-1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one Traditional Name: 7-[4-[4-(7-hydroxybenzothiophen-4-yl)piperazino]butoxy]carbostyril Formula: C25H27N3O3S MolecularWeight: 449.56518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C5C=CSC5=C(C=C4)O

Isomeric SMILES

C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(=O)N3)C4=C5C=CSC5=C(C=C4)O

InChI

InChI=1S/C25H27N3O3S/c29-23-7-6-22(20-9-16-32-25(20)23)28-13-11-27(12-14-28)10-1-2-15-31-19-5-3-18-4-8-24(30)26-21(18)17-19/h3-9,16-17,29H,1-2,10-15H2,(H,26,30)