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

Systemtic Name: 2-chloranyl-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2-chloro-1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 2-chloro-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2-chloro-1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2-chloro-1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Formula: C22H29ClN4O MolecularWeight: 400.94486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN4O/c1-15(2)19-17(4)24-20(18-9-6-5-7-10-18)25-21(19)26-11-8-12-27(14-13-26)22(28)16(3)23/h5-7,9-10,15-16H,8,11-14H2,1-4H3