4-(2,4-dimethyl-5-propan-2-yl-1H-pyrrol-3-yl)benzenecarbonitrile

Systemtic Name: 4-(2,4-dimethyl-5-propan-2-yl-1H-pyrrol-3-yl)benzenecarbonitrile Openeye Name: 4-(5-isopropyl-2,4-dimethyl-1H-pyrrol-3-yl)benzonitrile CAS Name: 4-(2,4-dimethyl-5-propan-2-yl-1H-pyrrol-3-yl)benzonitrile IUPAC Name: 4-(2,4-dimethyl-5-propan-2-yl-1H-pyrrol-3-yl)benzonitrile Traditional Name: 4-(5-isopropyl-2,4-dimethyl-1H-pyrrol-3-yl)benzonitrile Formula: C16H18N2 MolecularWeight: 238.32752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C2=CC=C(C=C2)C#N)C)C(C)C

Isomeric SMILES

CC1=C(NC(=C1C2=CC=C(C=C2)C#N)C)C(C)C

InChI

InChI=1S/C16H18N2/c1-10(2)16-11(3)15(12(4)18-16)14-7-5-13(9-17)6-8-14/h5-8,10,18H,1-4H3