N-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-2-imidazol-1-yl-3-methyl-but-2-enamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-2-imidazol-1-yl-3-methyl-but-2-enamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]methyl]-2-imidazol-1-yl-3-methyl-but-2-enamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]phenyl]methyl]-2-(1-imidazolyl)-3-methyl-2-butenamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]methyl]-2-imidazol-1-yl-3-methylbut-2-enamide Traditional Name: N-[4-(azepane-1-carbonyl)benzyl]-2-imidazol-1-yl-3-methyl-but-2-enamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NCC1=CC=C(C=C1)C(=O)N2CCCCCC2)N3C=CN=C3)C

Isomeric SMILES

CC(=C(C(=O)NCC1=CC=C(C=C1)C(=O)N2CCCCCC2)N3C=CN=C3)C

InChI

InChI=1S/C22H28N4O2/c1-17(2)20(26-14-11-23-16-26)21(27)24-15-18-7-9-19(10-8-18)22(28)25-12-5-3-4-6-13-25/h7-11,14,16H,3-6,12-13,15H2,1-2H3,(H,24,27)