cyclopentyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: cyclopentyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: cyclopentyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone CAS Name: cyclopentyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: cyclopentyl-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Traditional Name: cyclopentyl-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Formula: C25H33FN4O MolecularWeight: 424.554123

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CCCC3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CCCC3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H33FN4O/c1-3-23-22(17-19-8-6-11-21(26)16-19)24(28-18(2)27-23)29-12-7-13-30(15-14-29)25(31)20-9-4-5-10-20/h6,8,11,16,20H,3-5,7,9-10,12-15,17H2,1-2H3