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

Systemtic Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-N-(4-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=C(C=C3)OC)CC4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

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