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

Systemtic Name: N-[4-[[4-(4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(4-bromo-2-ethyl-5-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(4-bromo-2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(4-bromo-2-ethyl-5-methylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(4-bromo-2-ethyl-5-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C21H28BrN5O2 MolecularWeight: 462.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H28BrN5O2/c1-4-27-20(19(22)15(2)24-27)21(29)26-11-5-10-25(12-13-26)14-17-6-8-18(9-7-17)23-16(3)28/h6-9H,4-5,10-14H2,1-3H3,(H,23,28)