2-[(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide

Systemtic Name: 2-[(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Openeye Name: 2-[(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide CAS Name: 2-[(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide IUPAC Name: 2-[(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Traditional Name: 2-[(7-isocyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Formula: C28H29N3O MolecularWeight: 423.54936

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(CCN(C2)CC3=CC=CC=C3C(=O)NCCCCC4=CC=CC=C4)C=C1

Isomeric SMILES

[C-]#[N+]C1=CC2=C(CCN(C2)CC3=CC=CC=C3C(=O)NCCCCC4=CC=CC=C4)C=C1

InChI

InChI=1S/C28H29N3O/c1-29-26-15-14-23-16-18-31(21-25(23)19-26)20-24-12-5-6-13-27(24)28(32)30-17-8-7-11-22-9-3-2-4-10-22/h2-6,9-10,12-15,19H,7-8,11,16-18,20-21H2,(H,30,32)