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

Systemtic Name: 3-butyl-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-keto-phthalazine-1-carboxamide Formula: C23H24ClN3O4 MolecularWeight: 441.90736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C23H24ClN3O4/c1-2-3-9-27-23(29)17-8-5-4-7-16(17)20(26-27)22(28)25-14-15-12-18(24)21-19(13-15)30-10-6-11-31-21/h4-5,7-8,12-13H,2-3,6,9-11,14H2,1H3,(H,25,28)