2-[4-(3,4-dihydro-2H-chromen-3-ylcarbonyl)piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(3,4-dihydro-2H-chromen-3-ylcarbonyl)piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(chromane-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[3,4-dihydro-2H-1-benzopyran-3-yl(oxo)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(chroman-3-carbonyl)piperazino]isonicotinonitrile Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3CC4=CC=CC=C4OC3

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3CC4=CC=CC=C4OC3

InChI

InChI=1S/C20H20N4O2/c21-13-15-5-6-22-19(11-15)23-7-9-24(10-8-23)20(25)17-12-16-3-1-2-4-18(16)26-14-17/h1-6,11,17H,7-10,12,14H2