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

Systemtic Name: 2-(3-chloranylphenoxy)-4-[(2S)-2-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzenecarbonitrile Openeye Name: 2-(3-chlorophenoxy)-4-[(2S)-2-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzonitrile CAS Name: 2-(3-chlorophenoxy)-4-[(2S)-2-(3-methyl-4-imidazolyl)-2-pyrrolidinyl]benzonitrile IUPAC Name: 2-(3-chlorophenoxy)-4-[(2S)-2-(3-methylimidazol-4-yl)pyrrolidin-2-yl]benzonitrile Traditional Name: 2-(3-chlorophenoxy)-4-[(2S)-2-(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=C1C2(CCCN2)C3=CC(=C(C=C3)C#N)OC4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C=NC=C1[C@]2(CCCN2)C3=CC(=C(C=C3)C#N)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4O/c1-26-14-24-13-20(26)21(8-3-9-25-21)16-7-6-15(12-23)19(10-16)27-18-5-2-4-17(22)11-18/h2,4-7,10-11,13-14,25H,3,8-9H2,1H3/t21-/m0/s1