4-[2-azanyl-4-(3-bromophenyl)-1-methyl-5-oxidanylidene-imidazol-4-yl]-1-(2-fluoranylethyl)pyrrole-2-carbonitrile

Systemtic Name: 4-[2-azanyl-4-(3-bromophenyl)-1-methyl-5-oxidanylidene-imidazol-4-yl]-1-(2-fluoranylethyl)pyrrole-2-carbonitrile Openeye Name: 4-[2-amino-4-(3-bromophenyl)-1-methyl-5-oxo-imidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carbonitrile CAS Name: 4-[2-amino-4-(3-bromophenyl)-1-methyl-5-oxo-4-imidazolyl]-1-(2-fluoroethyl)-2-pyrrolecarbonitrile IUPAC Name: 4-[2-amino-4-(3-bromophenyl)-1-methyl-5-oxoimidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carbonitrile Traditional Name: 4-[2-amino-4-(3-bromophenyl)-5-keto-1-methyl-2-imidazolin-4-yl]-1-(2-fluoroethyl)pyrrole-2-carbonitrile Formula: C17H15BrFN5O MolecularWeight: 404.236303

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(N=C1N)(C2=CC(=CC=C2)Br)C3=CN(C(=C3)C#N)CCF

Isomeric SMILES

CN1C(=O)C(N=C1N)(C2=CC(=CC=C2)Br)C3=CN(C(=C3)C#N)CCF

InChI

InChI=1S/C17H15BrFN5O/c1-23-15(25)17(22-16(23)21,11-3-2-4-13(18)7-11)12-8-14(9-20)24(10-12)6-5-19/h2-4,7-8,10H,5-6H2,1H3,(H2,21,22)