(3S)-N-(4-pentylphenyl)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(4-pentylphenyl)-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-benzoyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-benzoyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-benzoyl-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O2/c1-2-3-5-10-21-15-17-25(18-16-21)29-27(31)26-19-23-13-8-9-14-24(23)20-30(26)28(32)22-11-6-4-7-12-22/h4,6-9,11-18,26H,2-3,5,10,19-20H2,1H3,(H,29,31)/t26-/m0/s1