(E)-N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-3-(3-nitrophenyl)acrylamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NC2=CC=CC=C2N1)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@H](C1=NC2=CC=CC=C2N1)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-14(2)12-19(21-23-17-8-3-4-9-18(17)24-21)22-20(26)11-10-15-6-5-7-16(13-15)25(27)28/h3-11,13-14,19H,12H2,1-2H3,(H,22,26)(H,23,24)/b11-10+/t19-/m1/s1