(2S)-3-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2S)-3-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: (2S)-3-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: (2S)-3-[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: (2S)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: (2S)-3-keto-3-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C27H21N5O2 MolecularWeight: 447.48794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CN(N=C3C4=CC(=CC=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1[C@H](C#N)C(=O)C3=CN(N=C3C4=CC(=CC=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C27H21N5O2/c1-31-24-14-7-6-13-23(24)29-27(31)21(16-28)26(33)22-17-32(19-10-4-3-5-11-19)30-25(22)18-9-8-12-20(15-18)34-2/h3-15,17,21H,1-2H3/t21-/m1/s1