2-(4-chloranylphenoxy)-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Formula: C27H31ClN4O2 MolecularWeight: 479.01364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)COC4=CC=C(C=C4)Cl)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)COC4=CC=C(C=C4)Cl)C(C)C

InChI

InChI=1S/C27H31ClN4O2/c1-19(2)25-20(3)29-26(21-8-5-4-6-9-21)30-27(25)32-15-7-14-31(16-17-32)24(33)18-34-23-12-10-22(28)11-13-23/h4-6,8-13,19H,7,14-18H2,1-3H3