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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CNC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CNC3=CC=CC(=C3)C#N

InChI

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