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

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[4-(1-piperidylmethyl)phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[4-(1-piperidinylmethyl)phenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[4-(piperidinomethyl)phenyl]propionamide Formula: C18H22BrN5O3 MolecularWeight: 436.30298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H22BrN5O3/c19-16-13-23(21-18(16)24(26)27)11-8-17(25)20-15-6-4-14(5-7-15)12-22-9-2-1-3-10-22/h4-7,13H,1-3,8-12H2,(H,20,25)