6-[4-(3H-1,2-benzodioxol-6-ylcarbonyl)piperazin-1-yl]-1-(phenylmethyl)-3,4-dihydroquinolin-2-one

Systemtic Name: 6-[4-(3H-1,2-benzodioxol-6-ylcarbonyl)piperazin-1-yl]-1-(phenylmethyl)-3,4-dihydroquinolin-2-one Openeye Name: 6-[4-(3H-1,2-benzodioxole-6-carbonyl)piperazin-1-yl]-1-benzyl-3,4-dihydroquinolin-2-one CAS Name: 6-[4-[3H-1,2-benzodioxol-6-yl(oxo)methyl]-1-piperazinyl]-1-(phenylmethyl)-3,4-dihydroquinolin-2-one IUPAC Name: 6-[4-(3H-1,2-benzodioxole-6-carbonyl)piperazin-1-yl]-1-benzyl-3,4-dihydroquinolin-2-one Traditional Name: 6-[4-(3H-1,2-benzodioxole-6-carbonyl)piperazino]-1-benzyl-3,4-dihydrocarbostyril Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C2=C1C=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=C(COO5)C=C4)CC6=CC=CC=C6

Isomeric SMILES

C1CC(=O)N(C2=C1C=C(C=C2)N3CCN(CC3)C(=O)C4=CC5=C(COO5)C=C4)CC6=CC=CC=C6

InChI

InChI=1S/C28H27N3O4/c32-27-11-8-21-16-24(9-10-25(21)31(27)18-20-4-2-1-3-5-20)29-12-14-30(15-13-29)28(33)22-6-7-23-19-34-35-26(23)17-22/h1-7,9-10,16-17H,8,11-15,18-19H2