3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC

InChI

InChI=1S/C23H22N4O3S/c1-14-11-19(15(2)26(14)12-16-7-6-10-31-16)20(28)13-27-23(30)18-9-5-4-8-17(18)21(25-27)22(29)24-3/h4-11H,12-13H2,1-3H3,(H,24,29)