3-[4-[(E)-(6-chloranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(E)-(6-chloranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(E)-(6-chloro-2-oxo-indolin-3-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(E)-(6-chloro-2-keto-indolin-3-ylidene)methyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C21H15ClN4O MolecularWeight: 374.823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C3C4=C(C=C(C=C4)Cl)NC3=O)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C4=C(C=C(C=C4)Cl)NC3=O)CCC#N

InChI

InChI=1S/C21H15ClN4O/c22-16-7-8-17-18(21(27)24-19(17)12-16)11-15-13-26(10-4-9-23)25-20(15)14-5-2-1-3-6-14/h1-3,5-8,11-13H,4,10H2,(H,24,27)/b18-11+