[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-methyl-2-thiophen-2-yl-quinolin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-methyl-2-thiophen-2-yl-quinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-methyl-2-(2-thienyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(6-methyl-2-thiophen-2-yl-4-quinolinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-methyl-2-thiophen-2-ylquinolin-4-yl)methanone Traditional Name: [6-methyl-2-(2-thienyl)-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CS6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CS6

InChI

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