2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]-3,4-dihydroisocarbostyril Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=CC=CC=C21)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(C(=O)C2=CC=CC=C21)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C24H28N4OS/c29-24-20-8-2-1-7-19(20)11-14-28(24)13-6-5-12-26-15-17-27(18-16-26)23-21-9-3-4-10-22(21)30-25-23/h1-4,7-10H,5-6,11-18H2