N-[4-(6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenyl-benzamide

Systemtic Name: N-[4-(6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenyl-benzamide Openeye Name: N-[4-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenyl-benzamide CAS Name: N-[4-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenylbenzamide IUPAC Name: N-[4-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenylbenzamide Traditional Name: N-[4-(6-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:

C1CN(CC2=C1C=C(C=C2)O)CCCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)O)CCCCNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2/c29-25-13-12-24-19-28(17-14-23(24)18-25)16-5-4-15-27-26(30)22-10-8-21(9-11-22)20-6-2-1-3-7-20/h1-3,6-13,18,29H,4-5,14-17,19H2,(H,27,30)