2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4,4-dimethyl-1H-isoquinolin-3-one

Systemtic Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4,4-dimethyl-1H-isoquinolin-3-one Openeye Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4,4-dimethyl-1H-isoquinolin-3-one CAS Name: 2-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]-4,4-dimethyl-1H-isoquinolin-3-one IUPAC Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4,4-dimethyl-1H-isoquinolin-3-one Traditional Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]-4,4-dimethyl-1H-isoquinolin-3-one Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2CN(C1=O)CCN3CCN(CC3)C4=NSC5=CC=CC=C54)C

Isomeric SMILES

CC1(C2=CC=CC=C2CN(C1=O)CCN3CCN(CC3)C4=NSC5=CC=CC=C54)C

InChI

InChI=1S/C24H28N4OS/c1-24(2)20-9-5-3-7-18(20)17-28(23(24)29)16-13-26-11-14-27(15-12-26)22-19-8-4-6-10-21(19)30-25-22/h3-10H,11-17H2,1-2H3