5-azanyl-3-[(Z)-1-cyano-2-(3-methoxy-2-phenylmethoxy-phenyl)ethenyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(Z)-1-cyano-2-(3-methoxy-2-phenylmethoxy-phenyl)ethenyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-(2-benzyloxy-3-methoxy-phenyl)-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-1-cyano-2-(3-methoxy-2-phenylmethoxyphenyl)ethenyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-(3-methoxy-2-phenylmethoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-2-(2-benzoxy-3-methoxy-phenyl)-1-cyano-vinyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C27H21N5O2 MolecularWeight: 447.48794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)C=C(C#N)C3=NN(C(=C3C#N)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2)/C=C(\C#N)/C3=NN(C(=C3C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C27H21N5O2/c1-33-24-14-8-11-20(26(24)34-18-19-9-4-2-5-10-19)15-21(16-28)25-23(17-29)27(30)32(31-25)22-12-6-3-7-13-22/h2-15H,18,30H2,1H3/b21-15+