N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-4-(2,5-dimethyl-1-pyrrolyl)benzamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-4-(2,5-dimethylpyrrol-1-yl)benzamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NCC(C3=CSC=C3)N(C)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NCC(C3=CSC=C3)N(C)C)C

InChI

InChI=1S/C21H25N3OS/c1-15-5-6-16(2)24(15)19-9-7-17(8-10-19)21(25)22-13-20(23(3)4)18-11-12-26-14-18/h5-12,14,20H,13H2,1-4H3,(H,22,25)