3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6-ethoxy-1-methyl-quinolin-4-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6-ethoxy-1-methyl-quinolin-4-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-ethoxy-1-methyl-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-6-ethoxy-1-methyl-4-quinolinone IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-ethoxy-1-methylquinolin-4-one Traditional Name: 6-ethoxy-1-methyl-3-(4-piperonylpiperazine-1-carbonyl)-4-quinolone Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H27N3O5/c1-3-31-18-5-6-21-19(13-18)24(29)20(15-26(21)2)25(30)28-10-8-27(9-11-28)14-17-4-7-22-23(12-17)33-16-32-22/h4-7,12-13,15H,3,8-11,14,16H2,1-2H3