7-methoxy-2-(phenylcarbonyl)-6-propan-2-yloxy-1H-isoquinoline-1-carbonitrile

Systemtic Name: 7-methoxy-2-(phenylcarbonyl)-6-propan-2-yloxy-1H-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-6-isopropoxy-7-methoxy-1H-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-7-methoxy-6-propan-2-yloxy-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-benzoyl-7-methoxy-6-propan-2-yloxy-1H-isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-6-isopropoxy-7-methoxy-1H-isoquinoline-1-carbonitrile Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C2C(N(C=CC2=C1)C(=O)C3=CC=CC=C3)C#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C2C(N(C=CC2=C1)C(=O)C3=CC=CC=C3)C#N)OC

InChI

InChI=1S/C21H20N2O3/c1-14(2)26-20-11-16-9-10-23(21(24)15-7-5-4-6-8-15)18(13-22)17(16)12-19(20)25-3/h4-12,14,18H,1-3H3