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

Systemtic Name: 2-(4-fluorophenyl)-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-fluorophenyl)-1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(4-fluorophenyl)-1-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-fluorophenyl)-1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-fluorophenyl)-1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone Formula: C27H31FN4O MolecularWeight: 446.559643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)CC4=CC=C(C=C4)F)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)CC4=CC=C(C=C4)F)C(C)C

InChI

InChI=1S/C27H31FN4O/c1-19(2)25-20(3)29-26(22-8-5-4-6-9-22)30-27(25)32-15-7-14-31(16-17-32)24(33)18-21-10-12-23(28)13-11-21/h4-6,8-13,19H,7,14-18H2,1-3H3