N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H21N3O4/c1-4-27-18-10-13-9-12(2)28-17(13)11-16(18)22-20(25)19-14-7-5-6-8-15(14)21(26)24(3)23-19/h5-8,10-12H,4,9H2,1-3H3,(H,22,25)/t12-/m0/s1