3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-(morpholinomethyl)phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[3-(4-morpholinylmethyl)phenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-(morpholinomethyl)phenyl]propionamide Formula: C17H20BrN5O4 MolecularWeight: 438.2758

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1COCCN1CC2=CC(=CC=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H20BrN5O4/c18-15-12-22(20-17(15)23(25)26)5-4-16(24)19-14-3-1-2-13(10-14)11-21-6-8-27-9-7-21/h1-3,10,12H,4-9,11H2,(H,19,24)