N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide

Systemtic Name: N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide Openeye Name: 5-(4-octoxyphenyl)-N-[(E)-1-(p-tolyl)ethylideneamino]pyrazolidine-3-carboxamide CAS Name: N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-(4-octoxyphenyl)-3-pyrazolidinecarboxamide IUPAC Name: N-[(E)-1-(4-methylphenyl)ethylideneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide Traditional Name: 5-(4-octoxyphenyl)-N-[(E)-1-(p-tolyl)ethylideneamino]pyrazolidine-3-carboxamide Formula: C27H38N4O2 MolecularWeight: 450.61622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N4O2/c1-4-5-6-7-8-9-18-33-24-16-14-23(15-17-24)25-19-26(30-29-25)27(32)31-28-21(3)22-12-10-20(2)11-13-22/h10-17,25-26,29-30H,4-9,18-19H2,1-3H3,(H,31,32)/b28-21+