2-(5-azanyl-1-phenyl-pyrazol-4-yl)-N-(2-oxidanylideneazepan-3-yl)-1,3-oxazole-4-carboxamide

Systemtic Name: 2-(5-azanyl-1-phenyl-pyrazol-4-yl)-N-(2-oxidanylideneazepan-3-yl)-1,3-oxazole-4-carboxamide Openeye Name: 2-(5-amino-1-phenyl-pyrazol-4-yl)-N-(2-oxoazepan-3-yl)oxazole-4-carboxamide CAS Name: 2-(5-amino-1-phenyl-4-pyrazolyl)-N-(2-oxo-3-azepanyl)-4-oxazolecarboxamide IUPAC Name: 2-(5-amino-1-phenylpyrazol-4-yl)-N-(2-oxoazepan-3-yl)-1,3-oxazole-4-carboxamide Traditional Name: 2-(5-amino-1-phenyl-pyrazol-4-yl)-N-(2-ketoazepan-3-yl)oxazole-4-carboxamide Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=COC(=N2)C3=C(N(N=C3)C4=CC=CC=C4)N

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=COC(=N2)C3=C(N(N=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C19H20N6O3/c20-16-13(10-22-25(16)12-6-2-1-3-7-12)19-24-15(11-28-19)18(27)23-14-8-4-5-9-21-17(14)26/h1-3,6-7,10-11,14H,4-5,8-9,20H2,(H,21,26)(H,23,27)