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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2/c1-21(2,27-19-6-4-18(22)5-7-19)20(26)25-13-3-12-24(14-15-25)16-17-8-10-23-11-9-17/h4-11H,3,12-16H2,1-2H3