N-(3-chloranyl-4-fluoranyl-phenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C26H29ClFN5O MolecularWeight: 481.992763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl)C(C)C

InChI

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