N-butyl-N-[2-(butylamino)-1-(4-nitrophenyl)-2-oxidanylidene-ethyl]-3-phenyl-prop-2-ynamide

Systemtic Name: N-butyl-N-[2-(butylamino)-1-(4-nitrophenyl)-2-oxidanylidene-ethyl]-3-phenyl-prop-2-ynamide Openeye Name: N-butyl-N-[2-(butylamino)-1-(4-nitrophenyl)-2-oxo-ethyl]-3-phenyl-prop-2-ynamide CAS Name: N-butyl-N-[2-(butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-3-phenyl-2-propynamide IUPAC Name: N-butyl-N-[2-(butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-3-phenylprop-2-ynamide Traditional Name: N-butyl-N-[2-(butylamino)-2-keto-1-(4-nitrophenyl)ethyl]-3-phenyl-propiolamide Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])N(CCCC)C(=O)C#CC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])N(CCCC)C(=O)C#CC2=CC=CC=C2

InChI

InChI=1S/C25H29N3O4/c1-3-5-18-26-25(30)24(21-13-15-22(16-14-21)28(31)32)27(19-6-4-2)23(29)17-12-20-10-8-7-9-11-20/h7-11,13-16,24H,3-6,18-19H2,1-2H3,(H,26,30)