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

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one Formula: C20H27ClN4O2 MolecularWeight: 390.90698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCCN(CC1)CC2=NC=CN2C)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)N1CCCN(CC1)CC2=NC=CN2C)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN4O2/c1-20(2,27-17-7-5-16(21)6-8-17)19(26)25-11-4-10-24(13-14-25)15-18-22-9-12-23(18)3/h5-9,12H,4,10-11,13-15H2,1-3H3