6-[2-[[2-[(3R)-3-cyano-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]amino]ethylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[2-[[2-[(3R)-3-cyano-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]amino]ethylamino]pyridine-3-carbonitrile Openeye Name: 6-[2-[[2-[(3R)-3-cyano-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]amino]ethylamino]pyridine-3-carbonitrile CAS Name: 6-[2-[[2-[(3R)-3-cyano-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]ethylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[2-[[2-[(3R)-3-cyano-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile Traditional Name: 6-[2-[[2-[(5R)-5-cyano-2-pyrazolin-1-yl]-2-keto-ethyl]amino]ethylamino]nicotinonitrile Formula: C14H15N7O MolecularWeight: 297.3152

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Descriptors Computed from Structure

Canonical SMILES:

C1C=NN(C1C#N)C(=O)CNCCNC2=NC=C(C=C2)C#N

Isomeric SMILES

C1C=NN([C@H]1C#N)C(=O)CNCCNC2=NC=C(C=C2)C#N

InChI

InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)/t12-/m1/s1