5-(4-octoxyphenyl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide

Systemtic Name: 5-(4-octoxyphenyl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide Openeye Name: 5-(4-octoxyphenyl)-N-[(E)-(3-phenoxyphenyl)methyleneamino]pyrazolidine-3-carboxamide CAS Name: 5-(4-octoxyphenyl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]-3-pyrazolidinecarboxamide IUPAC Name: 5-(4-octoxyphenyl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]pyrazolidine-3-carboxamide Traditional Name: 5-(4-octoxyphenyl)-N-[(E)-(3-phenoxybenzylidene)amino]pyrazolidine-3-carboxamide Formula: C31H38N4O3 MolecularWeight: 514.65842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2CC(NN2)C(=O)NN=CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2CC(NN2)C(=O)N/N=C/C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C31H38N4O3/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/h7-9,11-19,21,23,29-30,33-34H,2-6,10,20,22H2,1H3,(H,35,36)/b32-23+