4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)-N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide

Systemtic Name: 4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)-N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide Openeye Name: 4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)-N-[5-methyl-2-(m-tolylmethyl)pyrazol-3-yl]butanamide CAS Name: 4-(4-iodo-3,5-dimethyl-1-pyrazolyl)-N-[5-methyl-2-[(3-methylphenyl)methyl]-3-pyrazolyl]butanamide IUPAC Name: 4-(4-iodo-3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide Traditional Name: 4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)-N-[5-methyl-2-(3-methylbenzyl)pyrazol-3-yl]butyramide Formula: C21H26IN5O MolecularWeight: 491.36851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=CC(=N2)C)NC(=O)CCCN3C(=C(C(=N3)C)I)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=CC(=N2)C)NC(=O)CCCN3C(=C(C(=N3)C)I)C

InChI

InChI=1S/C21H26IN5O/c1-14-7-5-8-18(11-14)13-27-19(12-15(2)24-27)23-20(28)9-6-10-26-17(4)21(22)16(3)25-26/h5,7-8,11-12H,6,9-10,13H2,1-4H3,(H,23,28)