6-[[3-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-indol-5-yl]oxy]pyridine-3-carbonitrile

Systemtic Name: 6-[[3-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-indol-5-yl]oxy]pyridine-3-carbonitrile Openeye Name: 6-[[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxo-propyl]-1H-indol-5-yl]oxy]pyridine-3-carbonitrile CAS Name: 6-[[3-[(2S)-2-amino-3-[(2S)-2-cyano-1-pyrrolidinyl]-3-oxopropyl]-1H-indol-5-yl]oxy]-3-pyridinecarbonitrile IUPAC Name: 6-[[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]-1H-indol-5-yl]oxy]pyridine-3-carbonitrile Traditional Name: 6-[[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidino]-3-keto-propyl]-1H-indol-5-yl]oxy]nicotinonitrile 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=C(C=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=C(C=C4)C#N)N)C#N

InChI

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