N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-oxidanyl-1-phenyl-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

Systemtic Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-oxidanyl-1-phenyl-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide Openeye Name: N-[1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide CAS Name: N-[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-phenylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide IUPAC Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide Traditional Name: N-[1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-propyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CC2=CC=CC=C2)NC(=O)C3=C4CCNCC4=CC=C3)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CC2=CC=CC=C2)NC(=O)C3=C4CCNCC4=CC=C3)O

InChI

InChI=1S/C31H37N3O3/c1-31(2,3)34-30(37)25-14-8-7-12-22(25)19-28(35)27(18-21-10-5-4-6-11-21)33-29(36)26-15-9-13-23-20-32-17-16-24(23)26/h4-15,27-28,32,35H,16-20H2,1-3H3,(H,33,36)(H,34,37)