N-[3-[4-(isoquinolin-1-ylmethyl)phenyl]prop-2-ynyl]ethanamide

Systemtic Name: N-[3-[4-(isoquinolin-1-ylmethyl)phenyl]prop-2-ynyl]ethanamide Openeye Name: N-[3-[4-(1-isoquinolylmethyl)phenyl]prop-2-ynyl]acetamide CAS Name: N-[3-[4-(1-isoquinolinylmethyl)phenyl]prop-2-ynyl]acetamide IUPAC Name: N-[3-[4-(isoquinolin-1-ylmethyl)phenyl]prop-2-ynyl]acetamide Traditional Name: N-[3-[4-(1-isoquinolylmethyl)phenyl]prop-2-ynyl]acetamide Formula: C21H18N2O MolecularWeight: 314.38042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O/c1-16(24)22-13-4-5-17-8-10-18(11-9-17)15-21-20-7-3-2-6-19(20)12-14-23-21/h2-3,6-12,14H,13,15H2,1H3,(H,22,24)