4-[[(5S)-5-azanyl-6-[(2S)-2-cyanopyrrolidin-1-yl]-6-oxidanylidene-hexyl]amino]benzene-1,2-dicarbonitrile

Systemtic Name: 4-[[(5S)-5-azanyl-6-[(2S)-2-cyanopyrrolidin-1-yl]-6-oxidanylidene-hexyl]amino]benzene-1,2-dicarbonitrile Openeye Name: 4-[[(5S)-5-amino-6-[(2S)-2-cyanopyrrolidin-1-yl]-6-oxo-hexyl]amino]phthalonitrile CAS Name: 4-[[(5S)-5-amino-6-[(2S)-2-cyano-1-pyrrolidinyl]-6-oxohexyl]amino]benzene-1,2-dicarbonitrile IUPAC Name: 4-[[(5S)-5-amino-6-[(2S)-2-cyanopyrrolidin-1-yl]-6-oxohexyl]amino]benzene-1,2-dicarbonitrile Traditional Name: 4-[[(5S)-5-amino-6-[(2S)-2-cyanopyrrolidino]-6-keto-hexyl]amino]phthalonitrile Formula: C19H22N6O MolecularWeight: 350.41758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCNC2=CC(=C(C=C2)C#N)C#N)N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCCCNC2=CC(=C(C=C2)C#N)C#N)N)C#N

InChI

InChI=1S/C19H22N6O/c20-11-14-6-7-16(10-15(14)12-21)24-8-2-1-5-18(23)19(26)25-9-3-4-17(25)13-22/h6-7,10,17-18,24H,1-5,8-9,23H2/t17-,18-/m0/s1