2-(3-chloranylphenoxy)-4-[(2S)-1-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzenecarbonitrile

Systemtic Name: 2-(3-chloranylphenoxy)-4-[(2S)-1-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 2-(3-chlorophenoxy)-4-[(2S)-1-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzonitrile CAS Name: 2-(3-chlorophenoxy)-4-[(2S)-1-(3-methyl-4-imidazolyl)-2-pyrrolidinyl]benzonitrile IUPAC Name: 2-(3-chlorophenoxy)-4-[(2S)-1-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzonitrile Traditional Name: 2-(3-chlorophenoxy)-4-[(2S)-1-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzonitrile Formula: C21H19ClN4O MolecularWeight: 378.85476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1N2CCCC2C3=CC(=C(C=C3)C#N)OC4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C=NC=C1N2CCC[C@H]2C3=CC(=C(C=C3)C#N)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4O/c1-25-14-24-13-21(25)26-9-3-6-19(26)15-7-8-16(12-23)20(10-15)27-18-5-2-4-17(22)11-18/h2,4-5,7-8,10-11,13-14,19H,3,6,9H2,1H3/t19-/m0/s1