N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-butyl-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-butyl-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-3-butyl-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-butyl-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-butyl-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-3-butyl-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C22H24BrN3O3 MolecularWeight: 458.34826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C22H24BrN3O3/c1-4-5-12-26-21(27)18-9-7-6-8-17(18)20(24-26)22(28)25(2)14-15-13-16(23)10-11-19(15)29-3/h6-11,13H,4-5,12,14H2,1-3H3