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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methyl-2-phenyl-quinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methyl-2-phenyl-4-quinolyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3-methyl-2-phenyl-4-quinolinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-methyl-2-phenylquinolin-4-yl)methanone Traditional Name: (3-methyl-2-phenyl-4-quinolyl)-(4-piperonylpiperazino)methanone Formula: C29H27N3O3 MolecularWeight: 465.54298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H27N3O3/c1-20-27(23-9-5-6-10-24(23)30-28(20)22-7-3-2-4-8-22)29(33)32-15-13-31(14-16-32)18-21-11-12-25-26(17-21)35-19-34-25/h2-12,17H,13-16,18-19H2,1H3