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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C3=CC=CC=C3N=C2CNC(=O)C4CC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C3=CC=CC=C3N=C2CNC(=O)C4CC4

InChI

InChI=1S/C21H28N4O2/c26-20(24-12-5-1-2-6-13-24)11-14-25-18-8-4-3-7-17(18)23-19(25)15-22-21(27)16-9-10-16/h3-4,7-8,16H,1-2,5-6,9-15H2,(H,22,27)