N-[1-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]ethyl]-4-methyl-benzamide

Systemtic Name: N-[1-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]ethyl]-4-methyl-benzamide Openeye Name: N-[1-[1-[2-(azepan-1-yl)-2-oxo-ethyl]benzimidazol-2-yl]ethyl]-4-methyl-benzamide CAS Name: N-[1-[1-[2-(1-azepanyl)-2-oxoethyl]-2-benzimidazolyl]ethyl]-4-methylbenzamide IUPAC Name: N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide Traditional Name: N-[1-[1-[2-(azepan-1-yl)-2-keto-ethyl]benzimidazol-2-yl]ethyl]-4-methyl-benzamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C)C2=NC3=CC=CC=C3N2CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C)C2=NC3=CC=CC=C3N2CC(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O2/c1-18-11-13-20(14-12-18)25(31)26-19(2)24-27-21-9-5-6-10-22(21)29(24)17-23(30)28-15-7-3-4-8-16-28/h5-6,9-14,19H,3-4,7-8,15-17H2,1-2H3,(H,26,31)