3-phenacyloxy-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-phenacyloxy-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-isopropyl-3-phenacyloxy-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-phenacyloxy-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-phenacyloxy-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-isopropyl-3-phenacyloxy-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=N1)OCC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)C1=C2CCCCC2=C(C(=N1)OCC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H22N2O2/c1-14(2)20-17-11-7-6-10-16(17)18(12-22)21(23-20)25-13-19(24)15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-11,13H2,1-2H3