N-[(2S)-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-1-[(1-cyanocyclopropyl)amino]-1-oxidanylidene-propan-2-yl]-4-(4-cyclopropylpiperazin-1-yl)benzamide

Systemtic Name: N-[(2S)-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-1-[(1-cyanocyclopropyl)amino]-1-oxidanylidene-propan-2-yl]-4-(4-cyclopropylpiperazin-1-yl)benzamide Openeye Name: N-[(1S)-2-[(1-cyanocyclopropyl)amino]-1-[(4-hydroxy-3,5-diiodo-phenyl)methyl]-2-oxo-ethyl]-4-(4-cyclopropylpiperazin-1-yl)benzamide CAS Name: N-[(2S)-1-[(1-cyanocyclopropyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropan-2-yl]-4-(4-cyclopropyl-1-piperazinyl)benzamide IUPAC Name: N-[(2S)-1-[(1-cyanocyclopropyl)amino]-3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropan-2-yl]-4-(4-cyclopropylpiperazin-1-yl)benzamide Traditional Name: N-[(1S)-2-[(1-cyanocyclopropyl)amino]-1-(4-hydroxy-3,5-diiodo-benzyl)-2-keto-ethyl]-4-(4-cyclopropylpiperazino)benzamide Formula: C27H29I2N5O3 MolecularWeight: 725.3598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CCN(CC2)C3=CC=C(C=C3)C(=O)NC(CC4=CC(=C(C(=C4)I)O)I)C(=O)NC5(CC5)C#N

Isomeric SMILES

C1CC1N2CCN(CC2)C3=CC=C(C=C3)C(=O)N[C@@H](CC4=CC(=C(C(=C4)I)O)I)C(=O)NC5(CC5)C#N

InChI

InChI=1S/C27H29I2N5O3/c28-21-13-17(14-22(29)24(21)35)15-23(26(37)32-27(16-30)7-8-27)31-25(36)18-1-3-19(4-2-18)33-9-11-34(12-10-33)20-5-6-20/h1-4,13-14,20,23,35H,5-12,15H2,(H,31,36)(H,32,37)/t23-/m0/s1