N-[(4-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(4-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-3-nitro-N-(p-tolylmethyl)benzamide CAS Name: N-[(4-methylphenyl)methyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[(4-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(4-methylbenzyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c1-15-3-5-17(6-4-15)14-22-21(25)18-7-8-19(20(13-18)24(26)27)23-11-9-16(2)10-12-23/h3-8,13,16H,9-12,14H2,1-2H3,(H,22,25)