N-[4-[[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C23H33N5O2 MolecularWeight: 411.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=NN3C)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=NN3C)C(C)(C)C

InChI

InChI=1S/C23H33N5O2/c1-17(29)24-19-9-7-18(8-10-19)16-27-11-6-12-28(14-13-27)22(30)20-15-21(23(2,3)4)25-26(20)5/h7-10,15H,6,11-14,16H2,1-5H3,(H,24,29)