3-(4-butoxyphenyl)-N-[(E)-(phenylmethylidene)amino]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-butoxyphenyl)-N-[(E)-(phenylmethylidene)amino]-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-benzylideneamino]-3-(4-butoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(4-butoxyphenyl)-N-[(E)-(phenylmethylene)amino]-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-benzylideneamino]-3-(4-butoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-benzalamino]-3-(4-butoxyphenyl)-1H-pyrazole-5-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2/c1-2-3-13-27-18-11-9-17(10-12-18)19-14-20(24-23-19)21(26)25-22-15-16-7-5-4-6-8-16/h4-12,14-15H,2-3,13H2,1H3,(H,23,24)(H,25,26)/b22-15+