N-[4-(5-aminocarbonyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[4-(5-aminocarbonyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)thiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-2-thiazolyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)thiazol-2-yl]-4-keto-phthalazine-1-carboxamide Formula: C24H18N6O3S MolecularWeight: 470.50312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC(=CS4)C5=CNC(=C5)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC(=CS4)C5=CNC(=C5)C(=O)N

InChI

InChI=1S/C24H18N6O3S/c25-21(31)18-10-15(11-26-18)19-13-34-24(27-19)28-22(32)20-16-8-4-5-9-17(16)23(33)30(29-20)12-14-6-2-1-3-7-14/h1-11,13,26H,12H2,(H2,25,31)(H,27,28,32)