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

Systemtic Name: 2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-4-(2-thienyl)phthalazin-1-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)N2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C21H23N3O2S/c1-15(20(25)23-12-6-2-3-7-13-23)24-21(26)17-10-5-4-9-16(17)19(22-24)18-11-8-14-27-18/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3/t15-/m1/s1