N-(cyanomethyl)-2-(cyclohexylmethyl)-N'-[(3-nitrophenyl)methyl]propanediamide

Systemtic Name: N-(cyanomethyl)-2-(cyclohexylmethyl)-N'-[(3-nitrophenyl)methyl]propanediamide Openeye Name: N-(cyanomethyl)-2-(cyclohexylmethyl)-N'-[(3-nitrophenyl)methyl]propanediamide CAS Name: N-(cyanomethyl)-2-(cyclohexylmethyl)-N'-[(3-nitrophenyl)methyl]propanediamide IUPAC Name: N-(cyanomethyl)-2-(cyclohexylmethyl)-N'-[(3-nitrophenyl)methyl]propanediamide Traditional Name: N-(cyanomethyl)-2-(cyclohexylmethyl)-N'-(3-nitrobenzyl)malonamide Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC#N)C(=O)NCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NCC#N)C(=O)NCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4/c20-9-10-21-18(24)17(12-14-5-2-1-3-6-14)19(25)22-13-15-7-4-8-16(11-15)23(26)27/h4,7-8,11,14,17H,1-3,5-6,10,12-13H2,(H,21,24)(H,22,25)