1-butyl-3-(phenylazanylmethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-butyl-3-(phenylazanylmethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(anilinomethyl)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(anilinomethyl)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(anilinomethyl)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(anilinomethyl)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H25N3 MolecularWeight: 319.4433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCC2=C(C(=N1)CNC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC1=C2CCCCC2=C(C(=N1)CNC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H25N3/c1-2-3-13-20-18-12-8-7-11-17(18)19(14-22)21(24-20)15-23-16-9-5-4-6-10-16/h4-6,9-10,23H,2-3,7-8,11-13,15H2,1H3