1-[(4-prop-1-ynylphenyl)methyl]isoquinoline

Systemtic Name: 1-[(4-prop-1-ynylphenyl)methyl]isoquinoline Openeye Name: 1-[(4-prop-1-ynylphenyl)methyl]isoquinoline CAS Name: 1-[(4-prop-1-ynylphenyl)methyl]isoquinoline IUPAC Name: 1-[(4-prop-1-ynylphenyl)methyl]isoquinoline Traditional Name: 1-(4-prop-1-ynylbenzyl)isoquinoline Formula: C19H15N MolecularWeight: 257.3291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N/c1-2-5-15-8-10-16(11-9-15)14-19-18-7-4-3-6-17(18)12-13-20-19/h3-4,6-13H,14H2,1H3