3-methyl-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-4-nitro-benzamide

Systemtic Name: 3-methyl-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[3-(3-methyl-1-phenyl-4-pyrazolyl)propyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-nitrobenzamide Traditional Name: 3-methyl-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-4-nitro-benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCCC2=CN(N=C2C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCCC2=CN(N=C2C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-15-13-17(10-11-20(15)25(27)28)21(26)22-12-6-7-18-14-24(23-16(18)2)19-8-4-3-5-9-19/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,22,26)