3-[[2-imidazol-1-ylethanoyl(2-methylpropyl)amino]carbamoyl]-N,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]hexanamide

Systemtic Name: 3-[[2-imidazol-1-ylethanoyl(2-methylpropyl)amino]carbamoyl]-N,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]hexanamide Openeye Name: 2-[(E)-cinnamyl]-3-[[(2-imidazol-1-ylacetyl)-isobutyl-amino]carbamoyl]-N,5-dimethyl-hexanamide CAS Name: 3-[[2-[2-(1-imidazolyl)-1-oxoethyl]-2-(2-methylpropyl)hydrazinyl]-oxomethyl]-N,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]hexanamide IUPAC Name: 3-[[(2-imidazol-1-ylacetyl)-(2-methylpropyl)amino]carbamoyl]-N,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]hexanamide Traditional Name: (E)-2-[1-[[(2-imidazol-1-ylacetyl)-isobutyl-amino]carbamoyl]-3-methyl-butyl]-N-methyl-5-phenyl-pent-4-enamide Formula: C27H39N5O3 MolecularWeight: 481.63026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=CC1=CC=CC=C1)C(=O)NC)C(=O)NN(CC(C)C)C(=O)CN2C=CN=C2

Isomeric SMILES

CC(C)CC(C(C/C=C/C1=CC=CC=C1)C(=O)NC)C(=O)NN(CC(C)C)C(=O)CN2C=CN=C2

InChI

InChI=1S/C27H39N5O3/c1-20(2)16-24(23(26(34)28-5)13-9-12-22-10-7-6-8-11-22)27(35)30-32(17-21(3)4)25(33)18-31-15-14-29-19-31/h6-12,14-15,19-21,23-24H,13,16-18H2,1-5H3,(H,28,34)(H,30,35)/b12-9+