N-[(E)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide

Systemtic Name: N-[(E)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide Openeye Name: N-[(E)-2-(2-furyl)-1-(3-imidazol-1-ylpropylcarbamoyl)vinyl]-4-methyl-benzamide CAS Name: N-[(E)-1-(2-furanyl)-3-[3-(1-imidazolyl)propylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide IUPAC Name: N-[(E)-1-(furan-2-yl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide Traditional Name: N-[(E)-2-(2-furyl)-1-(3-imidazol-1-ylpropylcarbamoyl)vinyl]-4-methyl-benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C21H22N4O3/c1-16-5-7-17(8-6-16)20(26)24-19(14-18-4-2-13-28-18)21(27)23-9-3-11-25-12-10-22-15-25/h2,4-8,10,12-15H,3,9,11H2,1H3,(H,23,27)(H,24,26)/b19-14+