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

Systemtic Name: 2,2-bis(chloranyl)-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2,2-dichloro-1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone CAS Name: 2,2-dichloro-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2,2-dichloro-1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2,2-dichloro-1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Formula: C21H26Cl2N4O MolecularWeight: 421.36334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26Cl2N4O/c1-14(2)17-15(3)24-19(16-8-5-4-6-9-16)25-20(17)26-10-7-11-27(13-12-26)21(28)18(22)23/h4-6,8-9,14,18H,7,10-13H2,1-3H3