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

Systemtic Name: 3-cyclopentyl-1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[4-(6-ethyl-2-methyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Formula: C28H40N4O2 MolecularWeight: 464.6428

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O2/c1-4-26-25(20-23-10-13-24(34-3)14-11-23)28(30-21(2)29-26)32-17-7-16-31(18-19-32)27(33)15-12-22-8-5-6-9-22/h10-11,13-14,22H,4-9,12,15-20H2,1-3H3