4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-(2-oxidanylidenepropoxy)-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-(2-oxidanylidenepropoxy)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-acetonyloxy-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-(2-oxopropoxy)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-(2-oxopropoxy)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-acetonyloxy-4-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-6-phenyl-nicotinonitrile Formula: C30H21ClN4O2 MolecularWeight: 504.96634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C#N

Isomeric SMILES

CC(=O)COC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C#N

InChI

InChI=1S/C30H21ClN4O2/c1-20(36)19-37-30-26(17-32)25(16-28(33-30)21-8-4-2-5-9-21)27-18-35(24-10-6-3-7-11-24)34-29(27)22-12-14-23(31)15-13-22/h2-16,18H,19H2,1H3