(2-iodanyl-3-methyl-phenyl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-iodanyl-3-methyl-phenyl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (2-iodo-3-methyl-phenyl)-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (2-iodo-3-methylphenyl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (2-iodo-3-methylphenyl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (2-iodo-3-methyl-phenyl)-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methanone Formula: C20H24IN3O MolecularWeight: 449.32853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24IN3O/c1-15-6-3-9-18(19(15)21)20(25)24-11-5-10-23(12-13-24)14-17-8-4-7-16(2)22-17/h3-4,6-9H,5,10-14H2,1-2H3