N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC(C3=CC=CS3)N(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC(C3=CC=CS3)N(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O3S/c1-14-20(26(28)29)15(2)25(23-14)13-16-7-9-17(10-8-16)21(27)22-12-18(24(3)4)19-6-5-11-30-19/h5-11,18H,12-13H2,1-4H3,(H,22,27)