N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(3-bromophenyl)methyleneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(3-bromophenyl)methylideneamino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(3-bromobenzylidene)amino]-3-(4-propoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C20H19BrN4O2 MolecularWeight: 427.29446

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC(=CC=C3)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H19BrN4O2/c1-2-10-27-17-8-6-15(7-9-17)18-12-19(24-23-18)20(26)25-22-13-14-4-3-5-16(21)11-14/h3-9,11-13H,2,10H2,1H3,(H,23,24)(H,25,26)/b22-13+