3-[5-azanyl-4-(3-iodanylphenyl)carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[5-azanyl-4-(3-iodanylphenyl)carbonyl-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[5-amino-4-(3-iodobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[5-amino-4-[(3-iodophenyl)-oxomethyl]-1-pyrazolyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[5-amino-4-(3-iodobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[5-amino-4-(3-iodobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C21H19IN4O2 MolecularWeight: 486.30563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC=C4)I)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC(=CC=C4)I)N

InChI

InChI=1S/C21H19IN4O2/c1-12-5-6-14(21(28)25-16-7-8-16)10-18(12)26-20(23)17(11-24-26)19(27)13-3-2-4-15(22)9-13/h2-6,9-11,16H,7-8,23H2,1H3,(H,25,28)