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

Systemtic Name: 3,5,5-trimethyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one Openeye Name: 3,5,5-trimethyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one CAS Name: 3,5,5-trimethyl-1-[4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepan-1-yl]-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one Traditional Name: 3,5,5-trimethyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one Formula: C21H36N4O MolecularWeight: 360.53674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N4O/c1-15(14-21(5,6)7)13-19(26)24-9-8-10-25(12-11-24)20-16(2)17(3)22-18(4)23-20/h15H,8-14H2,1-7H3