N-[[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]methyl]-2,4-dimethyl-benzamide

Systemtic Name: N-[[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]methyl]-2,4-dimethyl-benzamide Openeye Name: N-[[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]methyl]-2,4-dimethyl-benzamide CAS Name: N-[[1-[3-(1-azepanyl)-3-oxopropyl]-2-benzimidazolyl]methyl]-2,4-dimethylbenzamide IUPAC Name: N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]-2,4-dimethylbenzamide Traditional Name: N-[[1-[3-(azepan-1-yl)-3-keto-propyl]benzimidazol-2-yl]methyl]-2,4-dimethyl-benzamide Formula: C26H32N4O2 MolecularWeight: 432.55788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4)C

InChI

InChI=1S/C26H32N4O2/c1-19-11-12-21(20(2)17-19)26(32)27-18-24-28-22-9-5-6-10-23(22)30(24)16-13-25(31)29-14-7-3-4-8-15-29/h5-6,9-12,17H,3-4,7-8,13-16,18H2,1-2H3,(H,27,32)