2-azanyl-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepine-8-carbonitrile

Systemtic Name: 2-azanyl-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepine-8-carbonitrile Openeye Name: 2-amino-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepine-8-carbonitrile CAS Name: 2-amino-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepine-8-carbonitrile IUPAC Name: 2-amino-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepine-8-carbonitrile Traditional Name: 2-amino-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepine-8-carbonitrile Formula: C17H11F3N4 MolecularWeight: 328.29125

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=CC(=C2)C#N)C(=N1)C3=CC=C(C=C3)C(F)(F)F)N

Isomeric SMILES

C1C(=NC2=C(C=CC(=C2)C#N)C(=N1)C3=CC=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C17H11F3N4/c18-17(19,20)12-4-2-11(3-5-12)16-13-6-1-10(8-21)7-14(13)24-15(22)9-23-16/h1-7H,9H2,(H2,22,24)