N-[1-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]ethyl]-2-methyl-prop-2-enamide

Systemtic Name: N-[1-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]ethyl]-2-methyl-prop-2-enamide Openeye Name: N-[1-[1-[2-(azepan-1-yl)-2-oxo-ethyl]benzimidazol-2-yl]ethyl]-2-methyl-prop-2-enamide CAS Name: N-[1-[1-[2-(1-azepanyl)-2-oxoethyl]-2-benzimidazolyl]ethyl]-2-methyl-2-propenamide IUPAC Name: N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide Traditional Name: N-[1-[1-[2-(azepan-1-yl)-2-keto-ethyl]benzimidazol-2-yl]ethyl]-2-methyl-acrylamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1CC(=O)N3CCCCCC3)NC(=O)C(=C)C

Isomeric SMILES

CC(C1=NC2=CC=CC=C2N1CC(=O)N3CCCCCC3)NC(=O)C(=C)C

InChI

InChI=1S/C21H28N4O2/c1-15(2)21(27)22-16(3)20-23-17-10-6-7-11-18(17)25(20)14-19(26)24-12-8-4-5-9-13-24/h6-7,10-11,16H,1,4-5,8-9,12-14H2,2-3H3,(H,22,27)