N-(2-dimethylaminoethyl)-2-(2,5-dimethylphenyl)-N-(phenylmethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-2-(2,5-dimethylphenyl)-N-(phenylmethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-benzyl-N-(2-dimethylaminoethyl)-2-(2,5-dimethylphenyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-(2-dimethylaminoethyl)-2-(2,5-dimethylphenyl)-N-(phenylmethyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-benzyl-N-(2-dimethylaminoethyl)-2-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-benzyl-N-(2-dimethylaminoethyl)-2-(2,5-dimethylphenyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C27H30N4OS MolecularWeight: 458.6183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)N(CCN(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)N(CCN(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N4OS/c1-20-12-13-21(2)24(17-20)31-25(18-23(28-31)26-11-8-16-33-26)27(32)30(15-14-29(3)4)19-22-9-6-5-7-10-22/h5-13,16-18H,14-15,19H2,1-4H3