4-(3,4-dihydroisoquinolin-1-yl)heptanedinitrile

Systemtic Name: 4-(3,4-dihydroisoquinolin-1-yl)heptanedinitrile Openeye Name: 4-(3,4-dihydroisoquinolin-1-yl)heptanedinitrile CAS Name: 4-(3,4-dihydroisoquinolin-1-yl)heptanedinitrile IUPAC Name: 4-(3,4-dihydroisoquinolin-1-yl)heptanedinitrile Traditional Name: 4-(3,4-dihydroisoquinolin-1-yl)pimelonitrile Formula: C16H17N3 MolecularWeight: 251.32628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=CC=CC=C21)C(CCC#N)CCC#N

Isomeric SMILES

C1CN=C(C2=CC=CC=C21)C(CCC#N)CCC#N

InChI

InChI=1S/C16H17N3/c17-10-3-6-14(7-4-11-18)16-15-8-2-1-5-13(15)9-12-19-16/h1-2,5,8,14H,3-4,6-7,9,12H2