3-butyl-1-(2-methylpropyl)isoquinoline

Systemtic Name: 3-butyl-1-(2-methylpropyl)isoquinoline Openeye Name: 3-butyl-1-isobutyl-isoquinoline CAS Name: 3-butyl-1-(2-methylpropyl)isoquinoline IUPAC Name: 3-butyl-1-(2-methylpropyl)isoquinoline Traditional Name: 3-butyl-1-isobutyl-isoquinoline Formula: C17H23N MolecularWeight: 241.37122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)CC(C)C

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)CC(C)C

InChI

InChI=1S/C17H23N/c1-4-5-9-15-12-14-8-6-7-10-16(14)17(18-15)11-13(2)3/h6-8,10,12-13H,4-5,9,11H2,1-3H3