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

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

CC(C1=NC2=CC=CC=C2N1CCC(=O)N3CCCCCC3)NC(=O)C=C

Isomeric SMILES

CC(C1=NC2=CC=CC=C2N1CCC(=O)N3CCCCCC3)NC(=O)C=C

InChI

InChI=1S/C21H28N4O2/c1-3-19(26)22-16(2)21-23-17-10-6-7-11-18(17)25(21)15-12-20(27)24-13-8-4-5-9-14-24/h3,6-7,10-11,16H,1,4-5,8-9,12-15H2,2H3,(H,22,26)