N-tert-butyl-2-[4-(2-isoquinolin-1-ylphenyl)-3-oxidanyl-butyl]naphthalene-1-carboxamide

Systemtic Name: N-tert-butyl-2-[4-(2-isoquinolin-1-ylphenyl)-3-oxidanyl-butyl]naphthalene-1-carboxamide Openeye Name: N-tert-butyl-2-[3-hydroxy-4-[2-(1-isoquinolyl)phenyl]butyl]naphthalene-1-carboxamide CAS Name: N-tert-butyl-2-[3-hydroxy-4-[2-(1-isoquinolinyl)phenyl]butyl]-1-naphthalenecarboxamide IUPAC Name: N-tert-butyl-2-[3-hydroxy-4-(2-isoquinolin-1-ylphenyl)butyl]naphthalene-1-carboxamide Traditional Name: N-tert-butyl-2-[3-hydroxy-4-[2-(1-isoquinolyl)phenyl]butyl]-1-naphthamide Formula: C34H34N2O2 MolecularWeight: 502.64596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CCC(CC3=CC=CC=C3C4=NC=CC5=CC=CC=C54)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C=CC2=CC=CC=C21)CCC(CC3=CC=CC=C3C4=NC=CC5=CC=CC=C54)O

InChI

InChI=1S/C34H34N2O2/c1-34(2,3)36-33(38)31-25(17-16-23-10-4-7-13-28(23)31)18-19-27(37)22-26-12-6-9-15-30(26)32-29-14-8-5-11-24(29)20-21-35-32/h4-17,20-21,27,37H,18-19,22H2,1-3H3,(H,36,38)