N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3CCN(CC3)CC(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3CCN(CC3)CC(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O4/c1-13-19(26(29)30)14(2)25(23-13)11-15-3-5-16(6-4-15)20(28)22-17-7-9-24(10-8-17)12-18(21)27/h3-6,17H,7-12H2,1-2H3,(H2,21,27)(H,22,28)