3,5,5-trimethyl-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one

Systemtic Name: 3,5,5-trimethyl-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one Openeye Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 3,5,5-trimethyl-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]hexan-1-one Traditional Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3,5,5-trimethyl-hexan-1-one Formula: C28H42N4O MolecularWeight: 450.65928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)CC(C)CC(C)(C)C)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)CC(C)CC(C)(C)C)C(C)C

InChI

InChI=1S/C28H42N4O/c1-20(2)25-22(4)29-26(23-12-9-8-10-13-23)30-27(25)32-15-11-14-31(16-17-32)24(33)18-21(3)19-28(5,6)7/h8-10,12-13,20-21H,11,14-19H2,1-7H3