4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C27H32FN5O2 MolecularWeight: 477.573683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)OC)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)OC)CC4=CC(=CC=C4)F

InChI

InChI=1S/C27H32FN5O2/c1-4-25-24(17-20-8-5-9-21(28)16-20)26(30-19(2)29-25)32-12-7-13-33(15-14-32)27(34)31-22-10-6-11-23(18-22)35-3/h5-6,8-11,16,18H,4,7,12-15,17H2,1-3H3,(H,31,34)