N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-3-iodanyl-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-3-iodanyl-benzamide Openeye Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-3-iodo-benzamide CAS Name: N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-3-iodobenzamide IUPAC Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-3-iodobenzamide Traditional Name: N-[3-chloro-4-(4-propionylpiperazino)phenyl]-3-iodo-benzamide Formula: C20H21ClIN3O2 MolecularWeight: 497.75711

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)I)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)I)Cl

InChI

InChI=1S/C20H21ClIN3O2/c1-2-19(26)25-10-8-24(9-11-25)18-7-6-16(13-17(18)21)23-20(27)14-4-3-5-15(22)12-14/h3-7,12-13H,2,8-11H2,1H3,(H,23,27)