2-[[3-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-indol-5-yl]oxy]pyridine-4-carbonitrile

Systemtic Name: 2-[[3-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-indol-5-yl]oxy]pyridine-4-carbonitrile Openeye Name: 2-[[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxo-propyl]-1H-indol-5-yl]oxy]pyridine-4-carbonitrile CAS Name: 2-[[3-[(2S)-2-amino-3-[(2S)-2-cyano-1-pyrrolidinyl]-3-oxopropyl]-1H-indol-5-yl]oxy]-4-pyridinecarbonitrile IUPAC Name: 2-[[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]-1H-indol-5-yl]oxy]pyridine-4-carbonitrile Traditional Name: 2-[[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidino]-3-keto-propyl]-1H-indol-5-yl]oxy]isonicotinonitrile Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CNC3=C2C=C(C=C3)OC4=NC=CC(=C4)C#N)N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CNC3=C2C=C(C=C3)OC4=NC=CC(=C4)C#N)N)C#N

InChI

InChI=1S/C22H20N6O2/c23-11-14-5-6-26-21(8-14)30-17-3-4-20-18(10-17)15(13-27-20)9-19(25)22(29)28-7-1-2-16(28)12-24/h3-6,8,10,13,16,19,27H,1-2,7,9,25H2/t16-,19-/m0/s1