N-[3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-3-keto-propyl]-4-nitro-benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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