N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-5-(3-pyridyl)isoxazole-3-carboxamide CAS Name: N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-5-(3-pyridinyl)-3-isoxazolecarboxamide IUPAC Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-5-(3-pyridyl)isoxazole-3-carboxamide Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=NOC(=C3)C4=CN=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=NOC(=C3)C4=CN=CC=C4

InChI

InChI=1S/C20H19N5O3/c26-19-13-25(9-8-22-19)16-5-3-14(4-6-16)11-23-20(27)17-10-18(28-24-17)15-2-1-7-21-12-15/h1-7,10,12H,8-9,11,13H2,(H,22,26)(H,23,27)