[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone Openeye Name: [4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone CAS Name: [4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-(4-ethylphenyl)methanone IUPAC Name: [4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone Traditional Name: (4-ethylphenyl)-(4-piperonyloylpiperazino)methanone Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O4/c1-2-15-3-5-16(6-4-15)20(24)22-9-11-23(12-10-22)21(25)17-7-8-18-19(13-17)27-14-26-18/h3-8,13H,2,9-12,14H2,1H3