(2-iodanyl-3-methyl-phenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-iodanyl-3-methyl-phenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (2-iodo-3-methyl-phenyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-iodo-3-methylphenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (2-iodo-3-methylphenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (2-iodo-3-methyl-phenyl)-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C21H25IN2O MolecularWeight: 448.34047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C(=CC=C3)C)I

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C(=CC=C3)C)I

InChI

InChI=1S/C21H25IN2O/c1-16-7-9-18(10-8-16)15-23-11-4-12-24(14-13-23)21(25)19-6-3-5-17(2)20(19)22/h3,5-10H,4,11-15H2,1-2H3