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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzamide Openeye Name: N-[2-(benzylamino)-2-oxo-ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]benzamide IUPAC Name: N-[2-(benzylamino)-2-oxoethyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[2-(benzylamino)-2-keto-ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC(=O)NCC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC(=O)NCC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-15-21(27(30)31)16(2)26(25-15)14-18-8-10-19(11-9-18)22(29)24-13-20(28)23-12-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,23,28)(H,24,29)