N-[1-(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenyl-benzamide

Systemtic Name: N-[1-(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenyl-benzamide Openeye Name: N-[1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenyl-benzamide CAS Name: N-[1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenylbenzamide IUPAC Name: N-[1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenylbenzamide Traditional Name: N-[1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenyl-benzamide Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)N3CCC4=C(C3)C=C(C=C4)O

Isomeric SMILES

CCCC(NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)N3CCC4=C(C3)C=C(C=C4)O

InChI

InChI=1S/C26H28N2O2/c1-2-6-25(28-16-15-21-13-14-24(29)17-23(21)18-28)27-26(30)22-11-9-20(10-12-22)19-7-4-3-5-8-19/h3-5,7-14,17,25,29H,2,6,15-16,18H2,1H3,(H,27,30)