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

Systemtic Name: 2-chloranyl-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone Openeye Name: 2-chloro-1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone CAS Name: 2-chloro-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-2-phenylethanone IUPAC Name: 2-chloro-1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylethanone Traditional Name: 2-chloro-1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenyl-ethanone Formula: C27H31ClN4O MolecularWeight: 463.01424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN4O/c1-19(2)23-20(3)29-25(22-13-8-5-9-14-22)30-26(23)31-15-10-16-32(18-17-31)27(33)24(28)21-11-6-4-7-12-21/h4-9,11-14,19,24H,10,15-18H2,1-3H3