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

Systemtic Name: N-[2-[4-[2-[(3-iodanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide Openeye Name: N-[2-[4-[2-(3-iodo-4-methyl-anilino)-2-oxo-ethyl]piperazin-1-yl]ethyl]furan-2-carboxamide CAS Name: N-[2-[4-[2-(3-iodo-4-methylanilino)-2-oxoethyl]-1-piperazinyl]ethyl]-2-furancarboxamide IUPAC Name: N-[2-[4-[2-(3-iodo-4-methylanilino)-2-oxoethyl]piperazin-1-yl]ethyl]furan-2-carboxamide Traditional Name: N-[2-[4-[2-(3-iodo-4-methyl-anilino)-2-keto-ethyl]piperazino]ethyl]-2-furamide Formula: C20H25IN4O3 MolecularWeight: 496.34197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CCNC(=O)C3=CC=CO3)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CCNC(=O)C3=CC=CO3)I

InChI

InChI=1S/C20H25IN4O3/c1-15-4-5-16(13-17(15)21)23-19(26)14-25-10-8-24(9-11-25)7-6-22-20(27)18-3-2-12-28-18/h2-5,12-13H,6-11,14H2,1H3,(H,22,27)(H,23,26)