[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone

Systemtic Name: [4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone Openeye Name: (3-fluorophenyl)-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone IUPAC Name: [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone Traditional Name: (3-fluorophenyl)-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C21H27FN4O MolecularWeight: 370.463683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN4O/c1-14(2)19-15(3)23-16(4)24-20(19)25-9-6-10-26(12-11-25)21(27)17-7-5-8-18(22)13-17/h5,7-8,13-14H,6,9-12H2,1-4H3