5-bromanyl-4-methoxy-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiophene-3-carboxamide

Systemtic Name: 5-bromanyl-4-methoxy-N-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]thiophene-3-carboxamide Openeye Name: 5-bromo-4-methoxy-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiophene-3-carboxamide CAS Name: 5-bromo-4-methoxy-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-3-thiophenecarboxamide IUPAC Name: 5-bromo-4-methoxy-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiophene-3-carboxamide Traditional Name: 5-bromo-N-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-4-methoxy-thiophene-3-carboxamide Formula: C17H17BrN4O3S MolecularWeight: 437.31088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1C(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32)Br

Isomeric SMILES

COC1=C(SC=C1C(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32)Br

InChI

InChI=1S/C17H17BrN4O3S/c1-25-13-12(9-26-14(13)18)16(23)20-8-4-7-19-15-10-5-2-3-6-11(10)17(24)22-21-15/h2-3,5-6,9H,4,7-8H2,1H3,(H,19,21)(H,20,23)(H,22,24)