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

Systemtic Name: 3,3-dimethyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Formula: C18H30N4O MolecularWeight: 318.457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O/c1-13-14(2)19-15(3)20-17(13)22-9-7-8-21(10-11-22)16(23)12-18(4,5)6/h7-12H2,1-6H3