4-dec-1-ynyl-3-(4-methoxyphenyl)isoquinoline

Systemtic Name: 4-dec-1-ynyl-3-(4-methoxyphenyl)isoquinoline Openeye Name: 4-dec-1-ynyl-3-(4-methoxyphenyl)isoquinoline CAS Name: 4-dec-1-ynyl-3-(4-methoxyphenyl)isoquinoline IUPAC Name: 4-dec-1-ynyl-3-(4-methoxyphenyl)isoquinoline Traditional Name: 4-dec-1-ynyl-3-(4-methoxyphenyl)isoquinoline Formula: C26H29NO MolecularWeight: 371.51456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=C(N=CC2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCCC#CC1=C(N=CC2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H29NO/c1-3-4-5-6-7-8-9-10-15-25-24-14-12-11-13-22(24)20-27-26(25)21-16-18-23(28-2)19-17-21/h11-14,16-20H,3-9H2,1-2H3