4-[[5-[[[(3S)-1-pyridin-3-ylcarbonylpyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[[(3S)-1-pyridin-3-ylcarbonylpyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[[(3S)-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]amino]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[[(3S)-1-nicotinoylpyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NCC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O/c23-10-17-3-5-18(6-4-17)14-28-16-25-12-21(28)13-26-20-7-9-27(15-20)22(29)19-2-1-8-24-11-19/h1-6,8,11-12,16,20,26H,7,9,13-15H2/t20-/m0/s1