N-[(2S)-3,3-dimethyl-1-oxidanyl-butan-2-yl]-1-naphthalen-1-yl-isoquinoline-3-carboxamide

Systemtic Name: N-[(2S)-3,3-dimethyl-1-oxidanyl-butan-2-yl]-1-naphthalen-1-yl-isoquinoline-3-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-1-(1-naphthyl)isoquinoline-3-carboxamide CAS Name: N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-(1-naphthalenyl)-3-isoquinolinecarboxamide IUPAC Name: N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-naphthalen-1-ylisoquinoline-3-carboxamide Traditional Name: N-[(1S)-2,2-dimethyl-1-methylol-propyl]-1-(1-naphthyl)isoquinoline-3-carboxamide Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CO)NC(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)[C@@H](CO)NC(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H26N2O2/c1-26(2,3)23(16-29)28-25(30)22-15-18-10-5-7-13-20(18)24(27-22)21-14-8-11-17-9-4-6-12-19(17)21/h4-15,23,29H,16H2,1-3H3,(H,28,30)/t23-/m1/s1