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

Systemtic Name: N-[1-[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]ethyl]-2-methyl-prop-2-enamide Openeye Name: N-[1-[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]ethyl]-2-methyl-prop-2-enamide CAS Name: N-[1-[1-[3-(1-azepanyl)-3-oxopropyl]-2-benzimidazolyl]ethyl]-2-methyl-2-propenamide IUPAC Name: N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide Traditional Name: N-[1-[1-[3-(azepan-1-yl)-3-keto-propyl]benzimidazol-2-yl]ethyl]-2-methyl-acrylamide Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2/c1-16(2)22(28)23-17(3)21-24-18-10-6-7-11-19(18)26(21)15-12-20(27)25-13-8-4-5-9-14-25/h6-7,10-11,17H,1,4-5,8-9,12-15H2,2-3H3,(H,23,28)