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

Systemtic Name: (3-iodanylphenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-iodophenyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-iodophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-iodophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-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(=CC=C2)I)CC3=CC=CS3

Isomeric SMILES

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

InChI

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