3-methyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-3-oxidanyl-pentan-1-one

Systemtic Name: 3-methyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-3-oxidanyl-pentan-1-one Openeye Name: 3-hydroxy-3-methyl-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]pentan-1-one CAS Name: 3-hydroxy-3-methyl-1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-1-pentanone IUPAC Name: 3-hydroxy-3-methyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]pentan-1-one Traditional Name: 3-hydroxy-3-methyl-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]pentan-1-one Formula: C18H29N3O2 MolecularWeight: 319.44176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(=O)N1CCCN(CC1)CC2=CC=CC(=N2)C)O

Isomeric SMILES

CCC(C)(CC(=O)N1CCCN(CC1)CC2=CC=CC(=N2)C)O

InChI

InChI=1S/C18H29N3O2/c1-4-18(3,23)13-17(22)21-10-6-9-20(11-12-21)14-16-8-5-7-15(2)19-16/h5,7-8,23H,4,6,9-14H2,1-3H3