(4R)-4-[3-(diethylamino)propyliminomethyl]-2-(4-nitrophenyl)-5-propyl-4H-pyrazol-3-one

Systemtic Name: (4R)-4-[3-(diethylamino)propyliminomethyl]-2-(4-nitrophenyl)-5-propyl-4H-pyrazol-3-one Openeye Name: (4R)-4-[3-(diethylamino)propyliminomethyl]-2-(4-nitrophenyl)-5-propyl-4H-pyrazol-3-one CAS Name: (4R)-4-[3-(diethylamino)propyliminomethyl]-2-(4-nitrophenyl)-5-propyl-4H-pyrazol-3-one IUPAC Name: (4R)-4-[3-(diethylamino)propyliminomethyl]-2-(4-nitrophenyl)-5-propyl-4H-pyrazol-3-one Traditional Name: (4R)-4-[3-(diethylamino)propyliminomethyl]-2-(4-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1C=NCCCN(CC)CC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)[C@@H]1C=NCCCN(CC)CC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O3/c1-4-8-19-18(15-21-13-7-14-23(5-2)6-3)20(26)24(22-19)16-9-11-17(12-10-16)25(27)28/h9-12,15,18H,4-8,13-14H2,1-3H3/t18-/m1/s1