N-[3-(5-azanyl-1-phenyl-pyrazol-3-yl)propyl]-1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(5-azanyl-1-phenyl-pyrazol-3-yl)propyl]-1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxamide Openeye Name: N-[3-(5-amino-1-phenyl-pyrazol-3-yl)propyl]-1-butyl-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[3-(5-amino-1-phenyl-3-pyrazolyl)propyl]-1-butyl-5-chloro-3-methyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-butyl-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: N-[3-(5-amino-1-phenyl-pyrazol-3-yl)propyl]-1-butyl-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C21H27ClN6O MolecularWeight: 414.93168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NCCCC2=NN(C(=C2)N)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NCCCC2=NN(C(=C2)N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H27ClN6O/c1-3-4-13-27-20(22)19(15(2)25-27)21(29)24-12-8-9-16-14-18(23)28(26-16)17-10-6-5-7-11-17/h5-7,10-11,14H,3-4,8-9,12-13,23H2,1-2H3,(H,24,29)