2-chloranyl-4-[2,4,5-trimethyl-1-(phenylmethyl)pyrrol-3-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[2,4,5-trimethyl-1-(phenylmethyl)pyrrol-3-yl]benzenecarbonitrile Openeye Name: 4-(1-benzyl-2,4,5-trimethyl-pyrrol-3-yl)-2-chloro-benzonitrile CAS Name: 2-chloro-4-[2,4,5-trimethyl-1-(phenylmethyl)-3-pyrrolyl]benzonitrile IUPAC Name: 4-(1-benzyl-2,4,5-trimethylpyrrol-3-yl)-2-chlorobenzonitrile Traditional Name: 4-(1-benzyl-2,4,5-trimethyl-pyrrol-3-yl)-2-chloro-benzonitrile Formula: C21H19ClN2 MolecularWeight: 334.84196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C2=CC(=C(C=C2)C#N)Cl)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C2=CC(=C(C=C2)C#N)Cl)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H19ClN2/c1-14-15(2)24(13-17-7-5-4-6-8-17)16(3)21(14)18-9-10-19(12-23)20(22)11-18/h4-11H,13H2,1-3H3