N-[(2Z)-2-[4-(azepan-1-ylcarbonyl)-1-methyl-3-oxidanylidene-pyrrol-2-ylidene]-1-methyl-3H-benzimidazol-5-yl]ethanamide

Systemtic Name: N-[(2Z)-2-[4-(azepan-1-ylcarbonyl)-1-methyl-3-oxidanylidene-pyrrol-2-ylidene]-1-methyl-3H-benzimidazol-5-yl]ethanamide Openeye Name: N-[(2Z)-2-[4-(azepane-1-carbonyl)-1-methyl-3-oxo-pyrrol-2-ylidene]-1-methyl-3H-benzimidazol-5-yl]acetamide CAS Name: N-[(2Z)-2-[4-[1-azepanyl(oxo)methyl]-1-methyl-3-oxo-2-pyrrolylidene]-1-methyl-3H-benzimidazol-5-yl]acetamide IUPAC Name: N-[(2Z)-2-[4-(azepane-1-carbonyl)-1-methyl-3-oxopyrrol-2-ylidene]-1-methyl-3H-benzimidazol-5-yl]acetamide Traditional Name: N-[(2Z)-2-[4-(azepane-1-carbonyl)-3-keto-1-methyl-2-pyrrolin-2-ylidene]-1-methyl-3H-benzimidazol-5-yl]acetamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=C3C(=O)C(=CN3C)C(=O)N4CCCCCC4)N2)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(/C(=C\3/C(=O)C(=CN3C)C(=O)N4CCCCCC4)/N2)C

InChI

InChI=1S/C22H27N5O3/c1-14(28)23-15-8-9-18-17(12-15)24-21(26(18)3)19-20(29)16(13-25(19)2)22(30)27-10-6-4-5-7-11-27/h8-9,12-13,24H,4-7,10-11H2,1-3H3,(H,23,28)/b21-19-