3-(dimethylamino)propyl 4-[(E)-2-(1-oxidanylidene-2H-phthalazin-6-yl)ethenyl]benzoate

Systemtic Name: 3-(dimethylamino)propyl 4-[(E)-2-(1-oxidanylidene-2H-phthalazin-6-yl)ethenyl]benzoate Openeye Name: 3-(dimethylamino)propyl 4-[(E)-2-(1-oxo-2H-phthalazin-6-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(1-oxo-2H-phthalazin-6-yl)ethenyl]benzoic acid 3-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl 4-[(E)-2-(1-oxo-2H-phthalazin-6-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(1-keto-2H-phthalazin-6-yl)vinyl]benzoic acid 3-(dimethylamino)propyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC(=O)C1=CC=C(C=C1)C=CC2=CC3=C(C=C2)C(=O)NN=C3

Isomeric SMILES

CN(C)CCCOC(=O)C1=CC=C(C=C1)/C=C/C2=CC3=C(C=C2)C(=O)NN=C3

InChI

InChI=1S/C22H23N3O3/c1-25(2)12-3-13-28-22(27)18-9-6-16(7-10-18)4-5-17-8-11-20-19(14-17)15-23-24-21(20)26/h4-11,14-15H,3,12-13H2,1-2H3,(H,24,26)/b5-4+