4-[4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]oxyphenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]oxyphenyl]benzenecarbonitrile Openeye Name: 4-[4-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethoxy]phenyl]benzonitrile CAS Name: 4-[4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile IUPAC Name: 4-[4-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile Traditional Name: 4-[4-[(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethoxy]phenyl]benzonitrile Formula: C25H20N2O2 MolecularWeight: 380.4385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H20N2O2/c1-16-24(22-5-3-4-6-23(22)27-16)25(28)17(2)29-21-13-11-20(12-14-21)19-9-7-18(15-26)8-10-19/h3-14,17,27H,1-2H3/t17-/m0/s1