1-[4-(3-isocyano-6-methyl-pyridin-2-yl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[4-(3-isocyano-6-methyl-pyridin-2-yl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[4-(3-isocyano-6-methyl-2-pyridyl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[4-(3-isocyano-6-methyl-2-pyridinyl)-1-piperazinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[4-(3-isocyano-6-methylpyridin-2-yl)piperazin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[4-(3-isocyano-6-methyl-2-pyridyl)piperazino]-3-phenyl-prop-2-yn-1-one Formula: C20H18N4O MolecularWeight: 330.38312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)[N+]#[C-])N2CCN(CC2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C=C1)[N+]#[C-])N2CCN(CC2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C20H18N4O/c1-16-8-10-18(21-2)20(22-16)24-14-12-23(13-15-24)19(25)11-9-17-6-4-3-5-7-17/h3-8,10H,12-15H2,1H3