1-[4-(isoquinolin-1-ylmethyl)phenyl]-2-methyl-pent-4-yn-2-ol

Systemtic Name: 1-[4-(isoquinolin-1-ylmethyl)phenyl]-2-methyl-pent-4-yn-2-ol Openeye Name: 1-[4-(1-isoquinolylmethyl)phenyl]-2-methyl-pent-4-yn-2-ol CAS Name: 1-[4-(1-isoquinolinylmethyl)phenyl]-2-methyl-4-pentyn-2-ol IUPAC Name: 1-[4-(isoquinolin-1-ylmethyl)phenyl]-2-methylpent-4-yn-2-ol Traditional Name: 1-[4-(1-isoquinolylmethyl)phenyl]-2-methyl-pent-4-yn-2-ol Formula: C22H21NO MolecularWeight: 315.40824

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#C)(CC1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32)O

Isomeric SMILES

CC(CC#C)(CC1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32)O

InChI

InChI=1S/C22H21NO/c1-3-13-22(2,24)16-18-10-8-17(9-11-18)15-21-20-7-5-4-6-19(20)12-14-23-21/h1,4-12,14,24H,13,15-16H2,2H3