(5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (5-tert-butyl-2-methyl-3-pyrazolyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-tert-butyl-2-methylpyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (5-tert-butyl-2-methyl-pyrazol-3-yl)-[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]methanone Formula: C21H29FN4O MolecularWeight: 372.479563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H29FN4O/c1-21(2,3)19-14-18(24(4)23-19)20(27)26-11-5-10-25(12-13-26)15-16-6-8-17(22)9-7-16/h6-9,14H,5,10-13,15H2,1-4H3