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

Systemtic Name: 3-cyclopentyl-1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Formula: C28H40N4O MolecularWeight: 448.6434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC3CCCC3)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC3CCCC3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C28H40N4O/c1-4-26-25(20-24-12-10-21(2)11-13-24)28(30-22(3)29-26)32-17-7-16-31(18-19-32)27(33)15-14-23-8-5-6-9-23/h10-13,23H,4-9,14-20H2,1-3H3