N-[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)-2-methylpropyl]-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)-2-methyl-propyl]-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC(C)CN3C(=CC(=N3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC(C)CN3C(=CC(=N3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H31N5O3/c1-15-6-5-9-25(13-15)20-8-7-19(11-21(20)27(29)30)22(28)23-12-16(2)14-26-18(4)10-17(3)24-26/h7-8,10-11,15-16H,5-6,9,12-14H2,1-4H3,(H,23,28)