N-[[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]methyl]-2-methyl-prop-2-enamide

Systemtic Name: N-[[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]methyl]-2-methyl-prop-2-enamide Openeye Name: N-[[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]methyl]-2-methyl-prop-2-enamide CAS Name: N-[[1-[3-(1-azepanyl)-3-oxopropyl]-2-benzimidazolyl]methyl]-2-methyl-2-propenamide IUPAC Name: N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide Traditional Name: N-[[1-[3-(azepan-1-yl)-3-keto-propyl]benzimidazol-2-yl]methyl]-2-methyl-acrylamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NCC1=NC2=CC=CC=C2N1CCC(=O)N3CCCCCC3

Isomeric SMILES

CC(=C)C(=O)NCC1=NC2=CC=CC=C2N1CCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H28N4O2/c1-16(2)21(27)22-15-19-23-17-9-5-6-10-18(17)25(19)14-11-20(26)24-12-7-3-4-8-13-24/h5-6,9-10H,1,3-4,7-8,11-15H2,2H3,(H,22,27)