(4-iodophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-iodophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-iodophenyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-iodophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-iodophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-iodophenyl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C17H19IN2OS MolecularWeight: 426.31503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19IN2OS/c18-15-6-4-14(5-7-15)17(21)20-9-2-8-19(10-11-20)13-16-3-1-12-22-16/h1,3-7,12H,2,8-11,13H2