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

Systemtic Name: 2-[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H31N5O2/c1-22(2,3)19-15-18(25(4)24-19)21(29)27-12-8-11-26(13-14-27)16-20(28)23-17-9-6-5-7-10-17/h5-7,9-10,15H,8,11-14,16H2,1-4H3,(H,23,28)