N-(2-ethyl-6-methyl-phenyl)-4-pyrimidin-5-ylcarbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-pyrimidin-5-ylcarbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-[oxo(5-pyrimidinyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-(pyrimidine-5-carbonyl)-1,4-diazepane-1-carboxamide Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)N2CCCN(CC2)C(=O)C3=CN=CN=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)N2CCCN(CC2)C(=O)C3=CN=CN=C3)C

InChI

InChI=1S/C20H25N5O2/c1-3-16-7-4-6-15(2)18(16)23-20(27)25-9-5-8-24(10-11-25)19(26)17-12-21-14-22-13-17/h4,6-7,12-14H,3,5,8-11H2,1-2H3,(H,23,27)