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

Systemtic Name: 2-chloranyl-4-[3,5-dimethyl-4-[[4-(4-oxidanylpiperidin-1-yl)carbonylphenyl]methyl]pyrazol-1-yl]benzenecarbonitrile Openeye Name: 2-chloro-4-[4-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]-3,5-dimethyl-pyrazol-1-yl]benzonitrile CAS Name: 2-chloro-4-[4-[[4-[(4-hydroxy-1-piperidinyl)-oxomethyl]phenyl]methyl]-3,5-dimethyl-1-pyrazolyl]benzonitrile IUPAC Name: 2-chloro-4-[4-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]-3,5-dimethylpyrazol-1-yl]benzonitrile Traditional Name: 2-chloro-4-[4-[4-(4-hydroxypiperidine-1-carbonyl)benzyl]-3,5-dimethyl-pyrazol-1-yl]benzonitrile Formula: C25H25ClN4O2 MolecularWeight: 448.9446

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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)N4CCC(CC4)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=C(C=C2)C#N)Cl)C)CC3=CC=C(C=C3)C(=O)N4CCC(CC4)O

InChI

InChI=1S/C25H25ClN4O2/c1-16-23(17(2)30(28-16)21-8-7-20(15-27)24(26)14-21)13-18-3-5-19(6-4-18)25(32)29-11-9-22(31)10-12-29/h3-8,14,22,31H,9-13H2,1-2H3