2-ethyl-1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one

Systemtic Name: 2-ethyl-1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one Openeye Name: 2-ethyl-1-[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one CAS Name: 2-ethyl-1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-hexanone IUPAC Name: 2-ethyl-1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one Traditional Name: 2-ethyl-1-[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]hexan-1-one Formula: C28H42N4O MolecularWeight: 450.65928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)C)CC)C

Isomeric SMILES

CCCCC(CC)C(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)C)CC)C

InChI

InChI=1S/C28H42N4O/c1-6-9-11-24(7-2)28(33)32-17-10-16-31(18-19-32)27-25(26(8-3)29-22(5)30-27)20-23-14-12-21(4)13-15-23/h12-15,24H,6-11,16-20H2,1-5H3