(1S)-7-methoxy-2-(phenylcarbonyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1S)-7-methoxy-2-(phenylcarbonyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1S)-2-benzoyl-6-benzyloxy-7-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1S)-2-benzoyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1S)-2-benzoyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1S)-6-benzoxy-2-benzoyl-7-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C2CCN([C@@H](C2=C1)C#N)C(=O)C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3/c1-29-23-15-21-20(14-24(23)30-17-18-8-4-2-5-9-18)12-13-27(22(21)16-26)25(28)19-10-6-3-7-11-19/h2-11,14-15,22H,12-13,17H2,1H3/t22-/m1/s1