5-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-3-(cyanomethyl)-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-3-(cyanomethyl)-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methyleneamino]-3-(cyanomethyl)-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(cyanomethyl)-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(cyanomethyl)-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(4-benzoxy-3-chloro-5-methoxy-benzylidene)amino]-3-(cyanomethyl)-1-phenyl-pyrazole-4-carbonitrile Formula: C27H20ClN5O2 MolecularWeight: 481.933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NC2=C(C(=NN2C3=CC=CC=C3)CC#N)C#N)Cl)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)C=NC2=C(C(=NN2C3=CC=CC=C3)CC#N)C#N)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C27H20ClN5O2/c1-34-25-15-20(14-23(28)26(25)35-18-19-8-4-2-5-9-19)17-31-27-22(16-30)24(12-13-29)32-33(27)21-10-6-3-7-11-21/h2-11,14-15,17H,12,18H2,1H3