(4-chloranyl-3-iodanyl-phenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-chloranyl-3-iodanyl-phenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-chloro-3-iodo-phenyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-chloro-3-iodophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-chloro-3-iodophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-chloro-3-iodo-phenyl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C17H18ClIN2OS MolecularWeight: 460.76009

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=C(C=C2)Cl)I)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=C(C=C2)Cl)I)CC3=CC=CS3

InChI

InChI=1S/C17H18ClIN2OS/c18-15-5-4-13(11-16(15)19)17(22)21-7-2-6-20(8-9-21)12-14-3-1-10-23-14/h1,3-5,10-11H,2,6-9,12H2