5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 5-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-2-keto-4,6-dimethyl-1H-pyridine-3-carbonitrile Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C)C#N

InChI

InChI=1S/C22H25N3O4/c1-13-17(14(2)24-22(27)18(13)11-23)5-6-21(26)25-8-7-15-9-19(28-3)20(29-4)10-16(15)12-25/h9-10H,5-8,12H2,1-4H3,(H,24,27)