2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]-4-(2-thienyl)phthalazin-1-one Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C

InChI

InChI=1S/C23H23N3O2S/c1-4-11-25-15(2)13-19(16(25)3)20(27)14-26-23(28)18-9-6-5-8-17(18)22(24-26)21-10-7-12-29-21/h5-10,12-13H,4,11,14H2,1-3H3