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

Systemtic Name: 4-(4-ethanoylphenyl)-N-[4-(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide Openeye Name: 4-(4-acetylphenyl)-N-[4-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide CAS Name: 4-(4-acetylphenyl)-N-[4-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide IUPAC Name: 4-(4-acetylphenyl)-N-[4-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide Traditional Name: 4-(4-acetylphenyl)-N-[4-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCCN3CCC4=C(C3)C=C(C=C4)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCCN3CCC4=C(C3)C=C(C=C4)O

InChI

InChI=1S/C28H30N2O3/c1-20(31)21-4-6-22(7-5-21)23-8-10-25(11-9-23)28(33)29-15-2-3-16-30-17-14-24-12-13-27(32)18-26(24)19-30/h4-13,18,32H,2-3,14-17,19H2,1H3,(H,29,33)