1-(1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-(1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-one Openeye Name: 1-(benzothiophen-3-yl)-3-[4-(2-methyl-8-quinolyl)piperazin-1-yl]propan-1-one CAS Name: 1-(1-benzothiophen-3-yl)-3-[4-(2-methyl-8-quinolinyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-one Traditional Name: 1-(benzothiophen-3-yl)-3-[4-(2-methyl-8-quinolyl)piperazino]propan-1-one Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2N3CCN(CC3)CCC(=O)C4=CSC5=CC=CC=C54)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2N3CCN(CC3)CCC(=O)C4=CSC5=CC=CC=C54)C=C1

InChI

InChI=1S/C25H25N3OS/c1-18-9-10-19-5-4-7-22(25(19)26-18)28-15-13-27(14-16-28)12-11-23(29)21-17-30-24-8-3-2-6-20(21)24/h2-10,17H,11-16H2,1H3