4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N,N-dimethyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N,N-dimethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N,N-dimethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-N,N-dimethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-N,N-dimethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-N,N-dimethyl-1,4-diazepane-1-carboxamide Formula: C21H28FN5O MolecularWeight: 385.478323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)N(C)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)N(C)C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H28FN5O/c1-15-19(14-17-7-5-8-18(22)13-17)20(24-16(2)23-15)26-9-6-10-27(12-11-26)21(28)25(3)4/h5,7-8,13H,6,9-12,14H2,1-4H3