6-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]propylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]propylamino]pyridine-3-carbonitrile Openeye Name: 6-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]propylamino]pyridine-3-carbonitrile CAS Name: 6-[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]propylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]propylamino]pyridine-3-carbonitrile Traditional Name: 6-[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]propylamino]nicotinonitrile Formula: C16H20N6O MolecularWeight: 312.3696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNCCCNC2=NC=C(C=C2)C#N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNCCCNC2=NC=C(C=C2)C#N)C#N

InChI

InChI=1S/C16H20N6O/c17-9-13-4-5-15(21-11-13)20-7-2-6-19-12-16(23)22-8-1-3-14(22)10-18/h4-5,11,14,19H,1-3,6-8,12H2,(H,20,21)/t14-/m0/s1