3-(1H-indol-3-yl)-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]prop-2-enamide

Systemtic Name: 3-(1H-indol-3-yl)-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]prop-2-enamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(1H-indol-3-yl)prop-2-enamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-3-(1H-indol-3-yl)-2-propenamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3-(1H-indol-3-yl)prop-2-enamide Traditional Name: 3-(1H-indol-3-yl)-N-[(1S)-2-keto-1-methylol-2-(4-phenylpiperazino)ethyl]acrylamide Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CO)NC(=O)C=CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)C=CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H26N4O3/c29-17-22(24(31)28-14-12-27(13-15-28)19-6-2-1-3-7-19)26-23(30)11-10-18-16-25-21-9-5-4-8-20(18)21/h1-11,16,22,25,29H,12-15,17H2,(H,26,30)/t22-/m0/s1