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

Systemtic Name: 4-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C24H28N4O MolecularWeight: 388.50532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)N2CCC3=CC=CC=C3C2)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)CC(=O)N2CCC3=CC=CC=C3C2)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H28N4O/c25-16-20-6-8-21(9-7-20)17-26-11-3-12-27(15-14-26)19-24(29)28-13-10-22-4-1-2-5-23(22)18-28/h1-2,4-9H,3,10-15,17-19H2