2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonyl)piperazino]isonicotinonitrile Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C#N)OC1

InChI

InChI=1S/C20H20N4O3/c21-14-15-4-5-22-19(12-15)23-6-8-24(9-7-23)20(25)16-2-3-17-18(13-16)27-11-1-10-26-17/h2-5,12-13H,1,6-11H2