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

Systemtic Name: (2-iodanyl-3-methyl-phenyl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-iodo-3-methyl-phenyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-iodo-3-methylphenyl)-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-iodo-3-methylphenyl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-iodo-3-methyl-phenyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C19H22IN3O MolecularWeight: 435.30195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C19H22IN3O/c1-15-5-2-7-17(18(15)20)19(24)23-10-4-9-22(11-12-23)14-16-6-3-8-21-13-16/h2-3,5-8,13H,4,9-12,14H2,1H3