2-[4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-2-methoxy-phenoxy]acetonitrile Formula: C30H27N5O4 MolecularWeight: 521.56648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OCC#N)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=C(C=C3)OCC#N)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C30H27N5O4/c1-19-26(29(36)34(32-19)22-10-6-4-7-11-22)28(21-14-15-24(39-17-16-31)25(18-21)38-3)27-20(2)33-35(30(27)37)23-12-8-5-9-13-23/h4-15,18,28,32-33H,17H2,1-3H3