4-[[4-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]methyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H28N4O/c1-19(24(29)28-11-10-22-4-2-3-5-23(22)18-28)27-14-12-26(13-15-27)17-21-8-6-20(16-25)7-9-21/h2-9,19H,10-15,17-18H2,1H3/t19-/m1/s1