3-azanyl-5-[(Z)-1-cyano-2-(3-phenyl-2,1-benzoxazol-5-yl)ethenyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[(Z)-1-cyano-2-(3-phenyl-2,1-benzoxazol-5-yl)ethenyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[(Z)-1-cyano-2-(3-phenyl-2,1-benzoxazol-5-yl)vinyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[(Z)-1-cyano-2-(3-phenyl-2,1-benzoxazol-5-yl)ethenyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[(Z)-1-cyano-2-(3-phenyl-2,1-benzoxazol-5-yl)ethenyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[(Z)-1-cyano-2-(3-phenylanthranil-5-yl)vinyl]-1H-pyrazole-4-carbonitrile Formula: C20H12N6O MolecularWeight: 352.34888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C=C(C#N)C4=C(C(=NN4)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)/C=C(\C#N)/C4=C(C(=NN4)N)C#N

InChI

InChI=1S/C20H12N6O/c21-10-14(18-16(11-22)20(23)25-24-18)8-12-6-7-17-15(9-12)19(27-26-17)13-4-2-1-3-5-13/h1-9H,(H3,23,24,25)/b14-8+