N-[(E)-(4-butoxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(4-butoxyphenyl)methyleneamino]-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(4-butoxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(4-butoxybenzylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=NNC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

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