1-naphthalen-1-yl-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]isoquinoline-3-carboxamide

Systemtic Name: 1-naphthalen-1-yl-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]isoquinoline-3-carboxamide Openeye Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-1-(1-naphthyl)isoquinoline-3-carboxamide CAS Name: N-[(1S)-2-hydroxy-1-phenylethyl]-1-(1-naphthalenyl)-3-isoquinolinecarboxamide IUPAC Name: N-[(1S)-2-hydroxy-1-phenylethyl]-1-naphthalen-1-ylisoquinoline-3-carboxamide Traditional Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-1-(1-naphthyl)isoquinoline-3-carboxamide Formula: C28H22N2O2 MolecularWeight: 418.48648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CO)NC(=O)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CO)NC(=O)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H22N2O2/c31-18-26(20-10-2-1-3-11-20)30-28(32)25-17-21-12-5-7-15-23(21)27(29-25)24-16-8-13-19-9-4-6-14-22(19)24/h1-17,26,31H,18H2,(H,30,32)/t26-/m1/s1