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

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Formula: C22H29ClN4O2 MolecularWeight: 416.94426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)COC3=CC=C(C=C3)Cl)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)COC3=CC=C(C=C3)Cl)C(C)C

InChI

InChI=1S/C22H29ClN4O2/c1-15(2)21-16(3)24-17(4)25-22(21)27-11-5-10-26(12-13-27)20(28)14-29-19-8-6-18(23)7-9-19/h6-9,15H,5,10-14H2,1-4H3