5,7-diethoxy-6-methyl-8-phenylmethoxy-isoquinoline-1-carbonitrile

Systemtic Name: 5,7-diethoxy-6-methyl-8-phenylmethoxy-isoquinoline-1-carbonitrile Openeye Name: 8-benzyloxy-5,7-diethoxy-6-methyl-isoquinoline-1-carbonitrile CAS Name: 5,7-diethoxy-6-methyl-8-phenylmethoxy-1-isoquinolinecarbonitrile IUPAC Name: 5,7-diethoxy-6-methyl-8-phenylmethoxyisoquinoline-1-carbonitrile Traditional Name: 8-benzoxy-5,7-diethoxy-6-methyl-isoquinoline-1-carbonitrile Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C2=C1C=CN=C2C#N)OCC3=CC=CC=C3)OCC)C

Isomeric SMILES

CCOC1=C(C(=C(C2=C1C=CN=C2C#N)OCC3=CC=CC=C3)OCC)C

InChI

InChI=1S/C22H22N2O3/c1-4-25-20-15(3)21(26-5-2)22(27-14-16-9-7-6-8-10-16)19-17(20)11-12-24-18(19)13-23/h6-12H,4-5,14H2,1-3H3