1-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-[(3-iodanylphenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[(3-iodophenyl)methyl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-(3-iodobenzyl)-1,4-diazepan-1-yl]-3-phenyl-propan-1-one Formula: C21H25IN2O MolecularWeight: 448.34047

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC2=CC=CC=C2)CC3=CC(=CC=C3)I

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC2=CC=CC=C2)CC3=CC(=CC=C3)I

InChI

InChI=1S/C21H25IN2O/c22-20-9-4-8-19(16-20)17-23-12-5-13-24(15-14-23)21(25)11-10-18-6-2-1-3-7-18/h1-4,6-9,16H,5,10-15,17H2