6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-methanoyl-1,4-dimethyl-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-methanoyl-1,4-dimethyl-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-formyl-1,4-dimethyl-2-oxo-pyridine-3-carbonitrile CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-formyl-1,4-dimethyl-2-oxo-3-pyridinecarbonitrile IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-formyl-1,4-dimethyl-2-oxopyridine-3-carbonitrile Traditional Name: 5-formyl-2-keto-1,4-dimethyl-6-(4-piperonylpiperazino)nicotinonitrile Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C)C#N

InChI

InChI=1S/C21H22N4O4/c1-14-16(10-22)21(27)23(2)20(17(14)12-26)25-7-5-24(6-8-25)11-15-3-4-18-19(9-15)29-13-28-18/h3-4,9,12H,5-8,11,13H2,1-2H3