3,4-bis(chloranyl)-N-[1-[[4-iodanyl-3-(2-piperazin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[1-[[4-iodanyl-3-(2-piperazin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]benzamide Openeye Name: 3,4-dichloro-N-[1-[[4-iodo-3-(2-piperazin-1-ylethoxy)phenyl]methyl]-4-piperidyl]benzamide CAS Name: 3,4-dichloro-N-[1-[[4-iodo-3-[2-(1-piperazinyl)ethoxy]phenyl]methyl]-4-piperidinyl]benzamide IUPAC Name: 3,4-dichloro-N-[1-[[4-iodo-3-(2-piperazin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]benzamide Traditional Name: 3,4-dichloro-N-[1-[4-iodo-3-(2-piperazinoethoxy)benzyl]-4-piperidyl]benzamide Formula: C25H31Cl2IN4O2 MolecularWeight: 617.34971

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC(=C(C=C2)Cl)Cl)CC3=CC(=C(C=C3)I)OCCN4CCNCC4

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC(=C(C=C2)Cl)Cl)CC3=CC(=C(C=C3)I)OCCN4CCNCC4

InChI

InChI=1S/C25H31Cl2IN4O2/c26-21-3-2-19(16-22(21)27)25(33)30-20-5-9-32(10-6-20)17-18-1-4-23(28)24(15-18)34-14-13-31-11-7-29-8-12-31/h1-4,15-16,20,29H,5-14,17H2,(H,30,33)