N-[[(2R)-7-chloranyl-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[[(2R)-7-chloranyl-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[[(2R)-7-chloro-5-(3-thienyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[[(2R)-7-chloro-5-(3-thiophenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[[(2R)-7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[[(2R)-7-chloro-5-(3-thienyl)coumaran-2-yl]methyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3CC4=C(O3)C(=CC(=C4)C5=CSC=C5)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H]3CC4=C(O3)C(=CC(=C4)C5=CSC=C5)Cl

InChI

InChI=1S/C23H18ClN3O3S/c1-27-23(29)18-5-3-2-4-17(18)20(26-27)22(28)25-11-16-9-15-8-14(13-6-7-31-12-13)10-19(24)21(15)30-16/h2-8,10,12,16H,9,11H2,1H3,(H,25,28)/t16-/m1/s1