2-chloranyl-N-[3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-(1H-pyrrol-2-yl)prop-1-en-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-(1H-pyrrol-2-yl)prop-1-en-2-yl]benzamide Openeye Name: 2-chloro-N-[1-(3-imidazol-1-ylpropylcarbamoyl)-2-(1H-pyrrol-2-yl)vinyl]benzamide CAS Name: 2-chloro-N-[3-[3-(1-imidazolyl)propylamino]-3-oxo-1-(1H-pyrrol-2-yl)prop-1-en-2-yl]benzamide IUPAC Name: 2-chloro-N-[3-(3-imidazol-1-ylpropylamino)-3-oxo-1-(1H-pyrrol-2-yl)prop-1-en-2-yl]benzamide Traditional Name: 2-chloro-N-[1-(3-imidazol-1-ylpropylcarbamoyl)-2-(1H-pyrrol-2-yl)vinyl]benzamide Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=CC2=CC=CN2)C(=O)NCCCN3C=CN=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=CC2=CC=CN2)C(=O)NCCCN3C=CN=C3)Cl

InChI

InChI=1S/C20H20ClN5O2/c21-17-7-2-1-6-16(17)19(27)25-18(13-15-5-3-8-23-15)20(28)24-9-4-11-26-12-10-22-14-26/h1-3,5-8,10,12-14,23H,4,9,11H2,(H,24,28)(H,25,27)