2-[3-(3-methyl-5-oxidanyl-phenyl)-4-[2-(4-phenoxyphenyl)pyridin-4-yl]pyrazol-1-yl]ethanenitrile

Systemtic Name: 2-[3-(3-methyl-5-oxidanyl-phenyl)-4-[2-(4-phenoxyphenyl)pyridin-4-yl]pyrazol-1-yl]ethanenitrile Openeye Name: 2-[3-(3-hydroxy-5-methyl-phenyl)-4-[2-(4-phenoxyphenyl)-4-pyridyl]pyrazol-1-yl]acetonitrile CAS Name: 2-[3-(3-hydroxy-5-methylphenyl)-4-[2-(4-phenoxyphenyl)-4-pyridinyl]-1-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(3-hydroxy-5-methylphenyl)-4-[2-(4-phenoxyphenyl)pyridin-4-yl]pyrazol-1-yl]acetonitrile Traditional Name: 2-[3-(3-hydroxy-5-methyl-phenyl)-4-[2-(4-phenoxyphenyl)-4-pyridyl]pyrazol-1-yl]acetonitrile Formula: C29H22N4O2 MolecularWeight: 458.51058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)C4=CC=C(C=C4)OC5=CC=CC=C5)CC#N)O

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)C4=CC=C(C=C4)OC5=CC=CC=C5)CC#N)O

InChI

InChI=1S/C29H22N4O2/c1-20-15-23(17-24(34)16-20)29-27(19-33(32-29)14-12-30)22-11-13-31-28(18-22)21-7-9-26(10-8-21)35-25-5-3-2-4-6-25/h2-11,13,15-19,34H,14H2,1H3