N-butyl-5-(4-methoxyphenyl)-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-butyl-5-(4-methoxyphenyl)-2-phenyl-pyrazole-3-carboxamide Openeye Name: N-butyl-5-(4-methoxyphenyl)-2-phenyl-pyrazole-3-carboxamide CAS Name: N-butyl-5-(4-methoxyphenyl)-2-phenyl-3-pyrazolecarboxamide IUPAC Name: N-butyl-5-(4-methoxyphenyl)-2-phenylpyrazole-3-carboxamide Traditional Name: N-butyl-5-(4-methoxyphenyl)-2-phenyl-pyrazole-3-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCNC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N3O2/c1-3-4-14-22-21(25)20-15-19(16-10-12-18(26-2)13-11-16)23-24(20)17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3,(H,22,25)