N-[5-methyl-2-[4-(phenethylcarbamoyl)phenyl]pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: N-[5-methyl-2-[4-(phenethylcarbamoyl)phenyl]pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-[5-methyl-2-[4-(phenethylcarbamoyl)phenyl]pyrazol-3-yl]-3-nitro-benzamide CAS Name: N-[5-methyl-2-[4-[oxo-(phenethylamino)methyl]phenyl]-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-[5-methyl-2-[4-(phenethylcarbamoyl)phenyl]pyrazol-3-yl]-3-nitrobenzamide Traditional Name: N-[5-methyl-2-[4-(phenethylcarbamoyl)phenyl]pyrazol-3-yl]-3-nitro-benzamide Formula: C26H23N5O4 MolecularWeight: 469.49192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H23N5O4/c1-18-16-24(28-26(33)21-8-5-9-23(17-21)31(34)35)30(29-18)22-12-10-20(11-13-22)25(32)27-15-14-19-6-3-2-4-7-19/h2-13,16-17H,14-15H2,1H3,(H,27,32)(H,28,33)