2-(4-chloranylphenoxy)-2-methyl-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]propan-1-one Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCCN(CC1)CC2=CC=CC=N2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)N1CCCN(CC1)CC2=CC=CC=N2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O2/c1-21(2,27-19-9-7-17(22)8-10-19)20(26)25-13-5-12-24(14-15-25)16-18-6-3-4-11-23-18/h3-4,6-11H,5,12-16H2,1-2H3