4-[(4-chloranylpyrazol-1-yl)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 4-[(4-chloranylpyrazol-1-yl)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide Openeye Name: 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-[4-(1-piperidylmethyl)phenyl]isoxazole-3-carboxamide CAS Name: 4-[(4-chloro-1-pyrazolyl)methyl]-5-methyl-N-[4-(1-piperidinylmethyl)phenyl]-3-isoxazolecarboxamide IUPAC Name: 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide Traditional Name: 4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-N-[4-(piperidinomethyl)phenyl]isoxazole-3-carboxamide Formula: C21H24ClN5O2 MolecularWeight: 413.90056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)NC2=CC=C(C=C2)CN3CCCCC3)CN4C=C(C=N4)Cl

Isomeric SMILES

CC1=C(C(=NO1)C(=O)NC2=CC=C(C=C2)CN3CCCCC3)CN4C=C(C=N4)Cl

InChI

InChI=1S/C21H24ClN5O2/c1-15-19(14-27-13-17(22)11-23-27)20(25-29-15)21(28)24-18-7-5-16(6-8-18)12-26-9-3-2-4-10-26/h5-8,11,13H,2-4,9-10,12,14H2,1H3,(H,24,28)