4-[[cyclohexyl-(phenylmethyl)amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[cyclohexyl-(phenylmethyl)amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[benzyl(cyclohexyl)amino]methyl]-3-nitro-benzamide CAS Name: 4-[[cyclohexyl-(phenylmethyl)amino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[benzyl(cyclohexyl)amino]methyl]-3-nitrobenzamide Traditional Name: 4-[[benzyl(cyclohexyl)amino]methyl]-3-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=CC=C2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=CC=C2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c22-21(25)17-11-12-18(20(13-17)24(26)27)15-23(19-9-5-2-6-10-19)14-16-7-3-1-4-8-16/h1,3-4,7-8,11-13,19H,2,5-6,9-10,14-15H2,(H2,22,25)