4-acetamido-N-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzamide

Systemtic Name: 4-acetamido-N-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzamide Openeye Name: 4-acetamido-N-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzamide CAS Name: 4-acetamido-N-[[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzamide IUPAC Name: 4-acetamido-N-[[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide Traditional Name: 4-acetamido-N-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzamide Formula: C22H21IN4O2 MolecularWeight: 500.33221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=NNC(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=NNC(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H21IN4O2/c1-14-12-18(15(2)27(14)21-10-6-19(23)7-11-21)13-24-26-22(29)17-4-8-20(9-5-17)25-16(3)28/h4-13H,1-3H3,(H,25,28)(H,26,29)