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

Systemtic Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-methyl-benzamide Openeye Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-methyl-benzamide CAS Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-4-methylbenzamide IUPAC Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylbenzamide Traditional Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-methyl-benzamide Formula: C21H20IN3O MolecularWeight: 457.30747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NN=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)I)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/N=C/C2=C(N(C(=C2)C)C3=CC=C(C=C3)I)C

InChI

InChI=1S/C21H20IN3O/c1-14-4-6-17(7-5-14)21(26)24-23-13-18-12-15(2)25(16(18)3)20-10-8-19(22)9-11-20/h4-13H,1-3H3,(H,24,26)/b23-13+