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

Systemtic Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-4-(2-thienyl)phthalazin-1-one Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C23H21N3O2S/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/h4-10,12-13H,1,11,14H2,2-3H3