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

Systemtic Name: N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-(1-methylpyrrol-2-yl)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(1-methylpyrrol-2-yl)vinyl]benzamide CAS Name: N-[(E)-3-[3-(1-imidazolyl)propylamino]-1-(1-methyl-2-pyrrolyl)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-3-(3-imidazol-1-ylpropylamino)-1-(1-methylpyrrol-2-yl)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[(E)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(1-methylpyrrol-2-yl)vinyl]benzamide Formula: C21H23N5O2 MolecularWeight: 377.43962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=C(C(=O)NCCCN2C=CN=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1/C=C(\C(=O)NCCCN2C=CN=C2)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2/c1-25-12-5-9-18(25)15-19(24-20(27)17-7-3-2-4-8-17)21(28)23-10-6-13-26-14-11-22-16-26/h2-5,7-9,11-12,14-16H,6,10,13H2,1H3,(H,23,28)(H,24,27)/b19-15+