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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C23H24ClN3O4/c1-14(2)13-27-23(29)17-7-4-3-6-16(17)20(26-27)22(28)25-12-15-10-18(24)21-19(11-15)30-8-5-9-31-21/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3,(H,25,28)