cyclopropyl-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: cyclopropyl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: cyclopropyl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: cyclopropyl-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: cyclopropyl-[4-(3-iodobenzyl)-1,4-diazepan-1-yl]methanone Formula: C16H21IN2O MolecularWeight: 384.25521

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)CC3=CC(=CC=C3)I

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)CC3=CC(=CC=C3)I

InChI

InChI=1S/C16H21IN2O/c17-15-4-1-3-13(11-15)12-18-7-2-8-19(10-9-18)16(20)14-5-6-14/h1,3-4,11,14H,2,5-10,12H2