4-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[1-(1-naphthylmethyl)pyrazol-4-yl]-3-nitro-benzamide CAS Name: 4-methyl-N-[1-(1-naphthalenylmethyl)-4-pyrazolyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[1-(1-naphthylmethyl)pyrazol-4-yl]-3-nitro-benzamide Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3/c1-15-9-10-17(11-21(15)26(28)29)22(27)24-19-12-23-25(14-19)13-18-7-4-6-16-5-2-3-8-20(16)18/h2-12,14H,13H2,1H3,(H,24,27)