2-(4-chloranylphenoxy)-2-methyl-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(3-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=CN=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)N1CCCN(CC1)CC2=CN=CC=C2)OC3=CC=C(C=C3)Cl

InChI

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