3-[(7-methoxy-1-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 3-[(7-methoxy-1-oxidanylidene-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)carbonyl]benzenecarbonitrile Openeye Name: 3-(6-benzyloxy-7-methoxy-1-oxo-3,4-dihydroisoquinoline-2-carbonyl)benzonitrile CAS Name: 3-[(7-methoxy-1-oxo-6-phenylmethoxy-3,4-dihydroisoquinolin-2-yl)-oxomethyl]benzonitrile IUPAC Name: 3-(7-methoxy-1-oxo-6-phenylmethoxy-3,4-dihydroisoquinoline-2-carbonyl)benzonitrile Traditional Name: 3-(6-benzoxy-1-keto-7-methoxy-3,4-dihydroisoquinoline-2-carbonyl)benzonitrile Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCN(C(=O)C2=C1)C(=O)C3=CC=CC(=C3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2CCN(C(=O)C2=C1)C(=O)C3=CC=CC(=C3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C25H20N2O4/c1-30-22-14-21-19(13-23(22)31-16-17-6-3-2-4-7-17)10-11-27(25(21)29)24(28)20-9-5-8-18(12-20)15-26/h2-9,12-14H,10-11,16H2,1H3