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

Systemtic Name: (2-iodanyl-3-methyl-phenyl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-iodo-3-methyl-phenyl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-iodo-3-methylphenyl)-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-iodo-3-methylphenyl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-iodo-3-methyl-phenyl)-[4-(2-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=CC=CC=N3

Isomeric SMILES

CC1=CC=CC(=C1I)C(=O)N2CCCN(CC2)CC3=CC=CC=N3

InChI

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