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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-(4-piperonyloylpiperazino)nicotinonitrile Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3/c1-13-9-14(2)22-19(16(13)11-21)23-5-7-24(8-6-23)20(25)15-3-4-17-18(10-15)27-12-26-17/h3-4,9-10H,5-8,12H2,1-2H3