N-[1-(3-azanyl-3-oxidanylidene-propyl)-5-[(4-fluorophenyl)carbonyl-methyl-amino]benzimidazol-2-yl]-4-cyano-benzamide

Systemtic Name: N-[1-(3-azanyl-3-oxidanylidene-propyl)-5-[(4-fluorophenyl)carbonyl-methyl-amino]benzimidazol-2-yl]-4-cyano-benzamide Openeye Name: N-[1-(3-amino-3-oxo-propyl)-5-[(4-fluorobenzoyl)-methyl-amino]benzimidazol-2-yl]-4-cyano-benzamide CAS Name: N-[1-(3-amino-3-oxopropyl)-5-[[(4-fluorophenyl)-oxomethyl]-methylamino]-2-benzimidazolyl]-4-cyanobenzamide IUPAC Name: N-[1-(3-amino-3-oxopropyl)-5-[(4-fluorobenzoyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide Traditional Name: N-[1-(3-amino-3-keto-propyl)-5-[(4-fluorobenzoyl)-methyl-amino]benzimidazol-2-yl]-4-cyano-benzamide Formula: C26H21FN6O3 MolecularWeight: 484.481743

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC=C(C=C3)C#N)CCC(=O)N)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN(C1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC=C(C=C3)C#N)CCC(=O)N)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H21FN6O3/c1-32(25(36)18-6-8-19(27)9-7-18)20-10-11-22-21(14-20)30-26(33(22)13-12-23(29)34)31-24(35)17-4-2-16(15-28)3-5-17/h2-11,14H,12-13H2,1H3,(H2,29,34)(H,30,31,35)