6-chloranyl-2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)quinoline-3-carboxamide

Systemtic Name: 6-chloranyl-2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)quinoline-3-carboxamide Openeye Name: 6-chloro-2-methyl-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]quinoline-3-carboxamide CAS Name: 6-chloro-2-methyl-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-3-quinolinecarboxamide IUPAC Name: 6-chloro-2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-3-carboxamide Traditional Name: 6-chloro-2-methyl-N-[2-pyrrolidino-2-(2-thienyl)ethyl]quinoline-3-carboxamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)NCC(C3=CC=CS3)N4CCCC4

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)NCC(C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C21H22ClN3OS/c1-14-17(12-15-11-16(22)6-7-18(15)24-14)21(26)23-13-19(20-5-4-10-27-20)25-8-2-3-9-25/h4-7,10-12,19H,2-3,8-9,13H2,1H3,(H,23,26)