2-phenylmethoxy-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-phenylmethoxy-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-benzyloxy-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-phenylmethoxy-1-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-phenylmethoxy-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-benzoxy-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)COCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)COCC3=CC=CC=C3)C)C

InChI

InChI=1S/C21H28N4O2/c1-16-17(2)22-18(3)23-21(16)25-11-7-10-24(12-13-25)20(26)15-27-14-19-8-5-4-6-9-19/h4-6,8-9H,7,10-15H2,1-3H3