4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[2-(1-phenyl-4-pyrazolyl)ethyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)OCC(=O)N

InChI

InChI=1S/C21H22N4O4/c1-28-19-11-16(7-8-18(19)29-14-20(22)26)21(27)23-10-9-15-12-24-25(13-15)17-5-3-2-4-6-17/h2-8,11-13H,9-10,14H2,1H3,(H2,22,26)(H,23,27)