N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OCC

InChI

InChI=1S/C22H25N3O4/c1-5-28-18-12-11-15(13-19(18)29-6-2)14(3)23-21(26)20-16-9-7-8-10-17(16)22(27)25(4)24-20/h7-14H,5-6H2,1-4H3,(H,23,26)/t14-/m0/s1