2-azanyl-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4,5-dimethyl-pyrrole-3-carbonitrile

Systemtic Name: 2-azanyl-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4,5-dimethyl-pyrrole-3-carbonitrile Openeye Name: 2-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4,5-dimethyl-pyrrole-3-carbonitrile CAS Name: 2-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4,5-dimethyl-3-pyrrolecarbonitrile IUPAC Name: 2-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4,5-dimethylpyrrole-3-carbonitrile Traditional Name: 2-amino-1-[3,5-bis(trifluoromethyl)benzyl]-4,5-dimethyl-pyrrole-3-carbonitrile Formula: C16H13F6N3 MolecularWeight: 361.284939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)N)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)N)CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C16H13F6N3/c1-8-9(2)25(14(24)13(8)6-23)7-10-3-11(15(17,18)19)5-12(4-10)16(20,21)22/h3-5H,7,24H2,1-2H3