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

Systemtic Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide Openeye Name: N-[(E)-(4-dimethylaminophenyl)methyleneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide CAS Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-5-(4-octoxyphenyl)-3-pyrazolidinecarboxamide IUPAC Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide Traditional Name: N-[(E)-[4-(dimethylamino)benzylidene]amino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide Formula: C27H39N5O2 MolecularWeight: 465.63086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N5O2/c1-4-5-6-7-8-9-18-34-24-16-12-22(13-17-24)25-19-26(30-29-25)27(33)31-28-20-21-10-14-23(15-11-21)32(2)3/h10-17,20,25-26,29-30H,4-9,18-19H2,1-3H3,(H,31,33)/b28-20+