3-butyl-2-(4-methoxyphenyl)-1-prop-2-enyl-1H-isoquinoline

Systemtic Name: 3-butyl-2-(4-methoxyphenyl)-1-prop-2-enyl-1H-isoquinoline Openeye Name: 1-allyl-3-butyl-2-(4-methoxyphenyl)-1H-isoquinoline CAS Name: 3-butyl-2-(4-methoxyphenyl)-1-prop-2-enyl-1H-isoquinoline IUPAC Name: 3-butyl-2-(4-methoxyphenyl)-1-prop-2-enyl-1H-isoquinoline Traditional Name: 1-allyl-3-butyl-2-(4-methoxyphenyl)-1H-isoquinoline Formula: C23H27NO MolecularWeight: 333.46658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(N1C3=CC=C(C=C3)OC)CC=C

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(N1C3=CC=C(C=C3)OC)CC=C

InChI

InChI=1S/C23H27NO/c1-4-6-11-20-17-18-10-7-8-12-22(18)23(9-5-2)24(20)19-13-15-21(25-3)16-14-19/h5,7-8,10,12-17,23H,2,4,6,9,11H2,1,3H3