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

Systemtic Name: N-ethyl-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-ethyl-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-ethyl-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-ethyl-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-ethyl-4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C22H30FN5O MolecularWeight: 399.504903

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NCC)CC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NCC)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H30FN5O/c1-4-20-19(15-17-8-6-9-18(23)14-17)21(26-16(3)25-20)27-10-7-11-28(13-12-27)22(29)24-5-2/h6,8-9,14H,4-5,7,10-13,15H2,1-3H3,(H,24,29)