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

Systemtic Name: N-[(2S)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(1H-indol-3-yl)prop-2-enamide Openeye Name: N-[(1S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-3-(1H-indol-3-yl)prop-2-enamide CAS Name: N-[(2S)-1-[4-(4-acetylphenyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-3-(1H-indol-3-yl)-2-propenamide IUPAC Name: N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-3-(1H-indol-3-yl)prop-2-enamide Traditional Name: N-[(1S)-2-[4-(4-acetylphenyl)piperazino]-2-keto-1-methylol-ethyl]-3-(1H-indol-3-yl)acrylamide Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CO)NC(=O)C=CC3=CNC4=CC=CC=C43

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H](CO)NC(=O)C=CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C26H28N4O4/c1-18(32)19-6-9-21(10-7-19)29-12-14-30(15-13-29)26(34)24(17-31)28-25(33)11-8-20-16-27-23-5-3-2-4-22(20)23/h2-11,16,24,27,31H,12-15,17H2,1H3,(H,28,33)/t24-/m0/s1