2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]-4-(2-thienyl)phthalazin-1-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C20H21N3O2S/c24-18(22-11-5-1-2-6-12-22)14-23-20(25)16-9-4-3-8-15(16)19(21-23)17-10-7-13-26-17/h3-4,7-10,13H,1-2,5-6,11-12,14H2