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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCC1=NC2=CC=CC=C2N1CCC(=O)N3CCCCCC3

Isomeric SMILES

C=CC(=O)NCCC1=NC2=CC=CC=C2N1CCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H28N4O2/c1-2-20(26)22-13-11-19-23-17-9-5-6-10-18(17)25(19)16-12-21(27)24-14-7-3-4-8-15-24/h2,5-6,9-10H,1,3-4,7-8,11-16H2,(H,22,26)