4-[[5-[[[(3S)-1-isoquinolin-4-ylcarbonyl-2-oxidanylidene-pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[[(3S)-1-isoquinolin-4-ylcarbonyl-2-oxidanylidene-pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[[(3S)-1-(isoquinoline-4-carbonyl)-2-oxo-pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[[(3S)-1-[4-isoquinolinyl(oxo)methyl]-2-oxo-3-pyrrolidinyl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[[(3S)-1-(isoquinoline-4-carbonyl)-2-oxopyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[[(3S)-1-(isoquinoline-4-carbonyl)-2-keto-pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C26H22N6O2 MolecularWeight: 450.49188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)C4=CN=CC5=CC=CC=C54

Isomeric SMILES

C1CN(C(=O)[C@H]1NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)C4=CN=CC5=CC=CC=C54

InChI

InChI=1S/C26H22N6O2/c27-11-18-5-7-19(8-6-18)16-31-17-29-13-21(31)14-30-24-9-10-32(26(24)34)25(33)23-15-28-12-20-3-1-2-4-22(20)23/h1-8,12-13,15,17,24,30H,9-10,14,16H2/t24-/m0/s1