[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(5-methyl-2-thienyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(5-methyl-2-thiophenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone Traditional Name: [2-(5-methyl-2-thienyl)-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H25N3O3S/c1-18-6-9-26(34-18)23-15-21(20-4-2-3-5-22(20)28-23)27(31)30-12-10-29(11-13-30)16-19-7-8-24-25(14-19)33-17-32-24/h2-9,14-15H,10-13,16-17H2,1H3