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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1H-quinolin-4-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1H-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1H-quinolin-4-one IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1H-quinolin-4-one Traditional Name: 3-(4-piperonylpiperazine-1-carbonyl)-4-quinolone Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CNC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CNC5=CC=CC=C5C4=O

InChI

InChI=1S/C22H21N3O4/c26-21-16-3-1-2-4-18(16)23-12-17(21)22(27)25-9-7-24(8-10-25)13-15-5-6-19-20(11-15)29-14-28-19/h1-6,11-12H,7-10,13-14H2,(H,23,26)