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

Systemtic Name: 4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(4-isopropylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-p-cumenyl-1,4-diazepane-1-carboxamide Formula: C29H37N5O MolecularWeight: 471.63698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37N5O/c1-20(2)23-12-14-25(15-13-23)31-29(35)34-17-9-16-33(18-19-34)28-26(21(3)4)22(5)30-27(32-28)24-10-7-6-8-11-24/h6-8,10-15,20-21H,9,16-19H2,1-5H3,(H,31,35)