(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C23H23ClN2O5 MolecularWeight: 442.89212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C23H23ClN2O5/c1-2-3-9-26-22(27)17-8-5-4-7-16(17)20(25-26)23(28)31-14-15-12-18(24)21-19(13-15)29-10-6-11-30-21/h4-5,7-8,12-13H,2-3,6,9-11,14H2,1H3