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

Systemtic Name: 4-[4-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]oxyphenyl]benzenecarbonitrile Openeye Name: 4-[4-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethoxy]phenyl]benzonitrile CAS Name: 4-[4-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile IUPAC Name: 4-[4-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile Traditional Name: 4-[4-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethoxy]phenyl]benzonitrile Formula: C25H22N2O2 MolecularWeight: 382.45438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H22N2O2/c1-18(25(28)27-15-14-20-4-2-3-5-23(20)17-27)29-24-12-10-22(11-13-24)21-8-6-19(16-26)7-9-21/h2-13,18H,14-15,17H2,1H3/t18-/m1/s1