4-iodanyl-2-methyl-N-[(E)-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide

Systemtic Name: 4-iodanyl-2-methyl-N-[(E)-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide Openeye Name: 4-iodo-2-methyl-N-[(E)-[4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]methyleneamino]pyrazole-3-carboxamide CAS Name: 4-iodo-2-methyl-N-[(E)-[4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 4-iodo-2-methyl-N-[(E)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide Traditional Name: 4-iodo-N-[(E)-[4-(2-keto-2-pyrrolidino-ethoxy)benzylidene]amino]-2-methyl-pyrazole-3-carboxamide Formula: C18H20IN5O3 MolecularWeight: 481.28757

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)I)C(=O)NN=CC2=CC=C(C=C2)OCC(=O)N3CCCC3

Isomeric SMILES

CN1C(=C(C=N1)I)C(=O)N/N=C/C2=CC=C(C=C2)OCC(=O)N3CCCC3

InChI

InChI=1S/C18H20IN5O3/c1-23-17(15(19)11-21-23)18(26)22-20-10-13-4-6-14(7-5-13)27-12-16(25)24-8-2-3-9-24/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,22,26)/b20-10+