4-[2,5-dimethyl-1-[[3-(2-oxidanylpropan-2-yl)pyrrol-1-yl]methyl]pyrrol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2,5-dimethyl-1-[[3-(2-oxidanylpropan-2-yl)pyrrol-1-yl]methyl]pyrrol-3-yl]benzenecarbonitrile Openeye Name: 4-[1-[[3-(1-hydroxy-1-methyl-ethyl)pyrrol-1-yl]methyl]-2,5-dimethyl-pyrrol-3-yl]benzonitrile CAS Name: 4-[1-[[3-(2-hydroxypropan-2-yl)-1-pyrrolyl]methyl]-2,5-dimethyl-3-pyrrolyl]benzonitrile IUPAC Name: 4-[1-[[3-(2-hydroxypropan-2-yl)pyrrol-1-yl]methyl]-2,5-dimethylpyrrol-3-yl]benzonitrile Traditional Name: 4-[1-[[3-(1-hydroxy-1-methyl-ethyl)pyrrol-1-yl]methyl]-2,5-dimethyl-pyrrol-3-yl]benzonitrile Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CN2C=CC(=C2)C(C)(C)O)C)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1CN2C=CC(=C2)C(C)(C)O)C)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O/c1-15-11-20(18-7-5-17(12-22)6-8-18)16(2)24(15)14-23-10-9-19(13-23)21(3,4)25/h5-11,13,25H,14H2,1-4H3