[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-(2,3-diethylquinoxalin-6-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-(2,3-diethylquinoxalin-6-yl)methanone Openeye Name: [4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-(2,3-diethylquinoxalin-6-yl)methanone CAS Name: [4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-(2,3-diethyl-6-quinoxalinyl)methanone IUPAC Name: [4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-(2,3-diethylquinoxalin-6-yl)methanone Traditional Name: (2,3-diethylquinoxalin-6-yl)-(4-piperonyloylpiperazino)methanone Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)N=C1CC

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5)N=C1CC

InChI

InChI=1S/C25H26N4O4/c1-3-18-19(4-2)27-21-13-16(5-7-20(21)26-18)24(30)28-9-11-29(12-10-28)25(31)17-6-8-22-23(14-17)33-15-32-22/h5-8,13-14H,3-4,9-12,15H2,1-2H3