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

Systemtic Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]phthalazin-1-amine Openeye Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]phthalazin-1-amine CAS Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-1-phthalazinamine IUPAC Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine Traditional Name: [(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-phthalazin-1-yl-amine Formula: C21H18IN5 MolecularWeight: 467.30559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=NNC3=NN=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)/C=N/NC3=NN=CC4=CC=CC=C43

InChI

InChI=1S/C21H18IN5/c1-14-11-17(15(2)27(14)19-9-7-18(22)8-10-19)13-24-26-21-20-6-4-3-5-16(20)12-23-25-21/h3-13H,1-2H3,(H,25,26)/b24-13+