3-phenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-phenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-phenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-phenyl-1-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-phenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-phenyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)CCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)CCC3=CC=CC=C3)C)C

InChI

InChI=1S/C21H28N4O/c1-16-17(2)22-18(3)23-21(16)25-13-7-12-24(14-15-25)20(26)11-10-19-8-5-4-6-9-19/h4-6,8-9H,7,10-15H2,1-3H3