2-chloranyl-4-[3,5-dimethyl-4-[[4-(3-oxidanylazetidin-1-yl)carbonylphenyl]methyl]pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[3,5-dimethyl-4-[[4-(3-oxidanylazetidin-1-yl)carbonylphenyl]methyl]pyrazol-1-yl]benzenecarbonitrile Openeye Name: 2-chloro-4-[4-[[4-(3-hydroxyazetidine-1-carbonyl)phenyl]methyl]-3,5-dimethyl-pyrazol-1-yl]benzonitrile CAS Name: 2-chloro-4-[4-[[4-[(3-hydroxy-1-azetidinyl)-oxomethyl]phenyl]methyl]-3,5-dimethyl-1-pyrazolyl]benzonitrile IUPAC Name: 2-chloro-4-[4-[[4-(3-hydroxyazetidine-1-carbonyl)phenyl]methyl]-3,5-dimethylpyrazol-1-yl]benzonitrile Traditional Name: 2-chloro-4-[4-[4-(3-hydroxyazetidine-1-carbonyl)benzyl]-3,5-dimethyl-pyrazol-1-yl]benzonitrile Formula: C23H21ClN4O2 MolecularWeight: 420.89144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=C(C=C2)C#N)Cl)C)CC3=CC=C(C=C3)C(=O)N4CC(C4)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=C(C=C2)C#N)Cl)C)CC3=CC=C(C=C3)C(=O)N4CC(C4)O

InChI

InChI=1S/C23H21ClN4O2/c1-14-21(15(2)28(26-14)19-8-7-18(11-25)22(24)10-19)9-16-3-5-17(6-4-16)23(30)27-12-20(29)13-27/h3-8,10,20,29H,9,12-13H2,1-2H3