4-[2-(7-azanyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-(7-azanyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]benzenecarbonitrile Openeye Name: 4-[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]benzonitrile CAS Name: 4-[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzonitrile IUPAC Name: 4-[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzonitrile Traditional Name: 4-[2-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]benzonitrile Formula: C18H17N3O MolecularWeight: 291.34708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)N)C(=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)N)C(=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H17N3O/c19-11-14-3-1-13(2-4-14)9-18(22)21-8-7-15-5-6-17(20)10-16(15)12-21/h1-6,10H,7-9,12,20H2