5-tert-butyl-N-[3-chloranyl-4-(1,4-diazepan-1-ylcarbonyl)phenyl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-[3-chloranyl-4-(1,4-diazepan-1-ylcarbonyl)phenyl]-2-methyl-pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-N-[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]-2-methyl-pyrazole-3-carboxamide CAS Name: 5-tert-butyl-N-[3-chloro-4-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-N-[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide Traditional Name: 5-tert-butyl-N-[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]-2-methyl-pyrazole-3-carboxamide Formula: C21H28ClN5O2 MolecularWeight: 417.93232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCNCC3)Cl)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCNCC3)Cl)C

InChI

InChI=1S/C21H28ClN5O2/c1-21(2,3)18-13-17(26(4)25-18)19(28)24-14-6-7-15(16(22)12-14)20(29)27-10-5-8-23-9-11-27/h6-7,12-13,23H,5,8-11H2,1-4H3,(H,24,28)