2-[4-[2-[(3-iodanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-[(3-iodanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(3-iodo-4-methyl-anilino)-2-oxo-ethyl]piperazin-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-(3-iodo-4-methylanilino)-2-oxoethyl]-1-piperazinyl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(3-iodo-4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-(3-iodo-4-methyl-anilino)-2-keto-ethyl]piperazino]-N-phenyl-acetamide Formula: C21H25IN4O2 MolecularWeight: 492.35327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3)I

InChI

InChI=1S/C21H25IN4O2/c1-16-7-8-18(13-19(16)22)24-21(28)15-26-11-9-25(10-12-26)14-20(27)23-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)(H,24,28)