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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-yl-quinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-methyl-2-(3-thienyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[6-methyl-2-(3-thiophenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone Traditional Name: [6-methyl-2-(3-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=CSC=C6

Isomeric SMILES

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

InChI

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