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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6-chloranyl-1-ethyl-quinolin-4-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-chloro-1-ethyl-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-6-chloro-1-ethyl-4-quinolinone IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-chloro-1-ethylquinolin-4-one Traditional Name: 6-chloro-1-ethyl-3-(4-piperonylpiperazine-1-carbonyl)-4-quinolone Formula: C24H24ClN3O4 MolecularWeight: 453.91806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)Cl)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)Cl)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24ClN3O4/c1-2-27-14-19(23(29)18-12-17(25)4-5-20(18)27)24(30)28-9-7-26(8-10-28)13-16-3-6-21-22(11-16)32-15-31-21/h3-6,11-12,14H,2,7-10,13,15H2,1H3