N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCC(CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H28N4O2/c1-2-22(31-17-16-20-10-6-7-11-21(20)19-31)18-29-27(33)26-24-14-8-9-15-25(24)28(34)32(30-26)23-12-4-3-5-13-23/h3-15,22H,2,16-19H2,1H3,(H,29,33)