N-[1-[7-(2-cyanophenoxy)-1,2,3,4-tetrahydroisoquinolin-4-yl]butan-2-yl]-4-phenyl-benzamide

Systemtic Name: N-[1-[7-(2-cyanophenoxy)-1,2,3,4-tetrahydroisoquinolin-4-yl]butan-2-yl]-4-phenyl-benzamide Openeye Name: N-[1-[[7-(2-cyanophenoxy)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl]propyl]-4-phenyl-benzamide CAS Name: N-[1-[7-(2-cyanophenoxy)-1,2,3,4-tetrahydroisoquinolin-4-yl]butan-2-yl]-4-phenylbenzamide IUPAC Name: N-[1-[7-(2-cyanophenoxy)-1,2,3,4-tetrahydroisoquinolin-4-yl]butan-2-yl]-4-phenylbenzamide Traditional Name: N-[1-[[7-(2-cyanophenoxy)-1,2,3,4-tetrahydroisoquinolin-4-yl]methyl]propyl]-4-phenyl-benzamide Formula: C33H31N3O2 MolecularWeight: 501.61814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CNCC2=C1C=CC(=C2)OC3=CC=CC=C3C#N)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(CC1CNCC2=C1C=CC(=C2)OC3=CC=CC=C3C#N)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H31N3O2/c1-2-29(36-33(37)25-14-12-24(13-15-25)23-8-4-3-5-9-23)18-27-21-35-22-28-19-30(16-17-31(27)28)38-32-11-7-6-10-26(32)20-34/h3-17,19,27,29,35H,2,18,21-22H2,1H3,(H,36,37)