N-(3-chloranyl-4-fluoranyl-phenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3-chloro-4-fluoro-phenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(3-chloro-4-fluorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3-chloro-4-fluoro-phenyl)-1,4-diazepane-1-carboxamide Formula: C26H29ClFN5O MolecularWeight: 481.992763

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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)F)Cl)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClFN5O/c1-3-24-21(16-19-8-5-4-6-9-19)25(30-18(2)29-24)32-12-7-13-33(15-14-32)26(34)31-20-10-11-23(28)22(27)17-20/h4-6,8-11,17H,3,7,12-16H2,1-2H3,(H,31,34)