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

Systemtic Name: N-[1-(3-azanyl-3-oxidanylidene-propyl)-5-[ethanoyl(methyl)amino]benzimidazol-2-yl]-4-cyano-benzamide Openeye Name: N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxo-propyl)benzimidazol-2-yl]-4-cyano-benzamide CAS Name: N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)-2-benzimidazolyl]-4-cyanobenzamide IUPAC Name: N-[5-[acetyl(methyl)amino]-1-(3-amino-3-oxopropyl)benzimidazol-2-yl]-4-cyanobenzamide Traditional Name: N-[5-[acetyl(methyl)amino]-1-(3-amino-3-keto-propyl)benzimidazol-2-yl]-4-cyano-benzamide Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O3/c1-13(28)26(2)16-7-8-18-17(11-16)24-21(27(18)10-9-19(23)29)25-20(30)15-5-3-14(12-22)4-6-15/h3-8,11H,9-10H2,1-2H3,(H2,23,29)(H,24,25,30)