2-[[2-(azepan-1-yl)phenyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-[[2-(azepan-1-yl)phenyl]amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[2-(azepan-1-yl)anilino]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[2-(1-azepanyl)anilino]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-(azepan-1-yl)anilino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[2-(azepan-1-yl)anilino]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NCC(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NCC(=O)N3CCCC3C4=CC=CS4

InChI

InChI=1S/C22H29N3OS/c26-22(25-15-7-11-20(25)21-12-8-16-27-21)17-23-18-9-3-4-10-19(18)24-13-5-1-2-6-14-24/h3-4,8-10,12,16,20,23H,1-2,5-7,11,13-15,17H2