4-(3-methylbutylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-3-carbonitrile

Systemtic Name: 4-(3-methylbutylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-3-carbonitrile Openeye Name: 4-(isopentylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-3-carbonitrile CAS Name: 4-(3-methylbutylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-3-carbonitrile IUPAC Name: 4-(3-methylbutylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-3-carbonitrile Traditional Name: 4-(isoamylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-3-carbonitrile Formula: C21H25N3 MolecularWeight: 319.4433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(N=C(C2=C1CCCC2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)CCNC1=C(N=C(C2=C1CCCC2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H25N3/c1-15(2)12-13-23-21-18-11-7-6-10-17(18)20(24-19(21)14-22)16-8-4-3-5-9-16/h3-5,8-9,15,23H,6-7,10-13H2,1-2H3