2-(4-chloranylphenoxy)-2-methyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]propan-1-one Formula: C22H28ClN3O2 MolecularWeight: 401.92962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C(C)(C)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C(C)(C)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H28ClN3O2/c1-17-6-4-7-19(24-17)16-25-12-5-13-26(15-14-25)21(27)22(2,3)28-20-10-8-18(23)9-11-20/h4,6-11H,5,12-16H2,1-3H3