6-methyl-2-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-methyl-2-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-methyl-2-[4-(1-oxo-3-phenylprop-2-ynyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-methyl-2-[4-(3-phenylpropioloyl)piperazino]nicotinonitrile Formula: C20H18N4O MolecularWeight: 330.38312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)N2CCN(CC2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)N2CCN(CC2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C20H18N4O/c1-16-7-9-18(15-21)20(22-16)24-13-11-23(12-14-24)19(25)10-8-17-5-3-2-4-6-17/h2-7,9H,11-14H2,1H3