2-[(2-methoxyphenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[(2-methoxyphenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]-1-thiophen-2-yl-ethanone Openeye Name: 2-[2-methoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2-thienyl)ethanone CAS Name: 2-[2-methoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-thiophen-2-ylethanone IUPAC Name: 2-[2-methoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-thiophen-2-ylethanone Traditional Name: 2-[2-methoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(2-thienyl)ethanone Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC(=O)C2=CC=CS2)C3=NCCCCC3

Isomeric SMILES

COC1=CC=CC=C1N(CC(=O)C2=CC=CS2)C3=NCCCCC3

InChI

InChI=1S/C19H22N2O2S/c1-23-17-9-5-4-8-15(17)21(19-11-3-2-6-12-20-19)14-16(22)18-10-7-13-24-18/h4-5,7-10,13H,2-3,6,11-12,14H2,1H3