3-(4-octoxyphenyl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-octoxyphenyl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-octoxyphenyl)-N-[(E)-(3-phenoxyphenyl)methyleneamino]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-octoxyphenyl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-octoxyphenyl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-octoxyphenyl)-N-[(E)-(3-phenoxybenzylidene)amino]-1H-pyrazole-5-carboxamide Formula: C31H34N4O3 MolecularWeight: 510.62666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C31H34N4O3/c1-2-3-4-5-6-10-20-37-26-18-16-25(17-19-26)29-22-30(34-33-29)31(36)35-32-23-24-12-11-15-28(21-24)38-27-13-8-7-9-14-27/h7-9,11-19,21-23H,2-6,10,20H2,1H3,(H,33,34)(H,35,36)/b32-23+