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

Systemtic Name: 3-(1H-indol-3-yl)-N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]prop-2-enamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(1H-indol-3-yl)prop-2-enamide CAS Name: N-[(2S)-3-hydroxy-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)-2-propenamide IUPAC Name: N-[(2S)-3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)prop-2-enamide Traditional Name: 3-(1H-indol-3-yl)-N-[(1S)-2-keto-2-[4-(2-methoxyphenyl)piperazino]-1-methylol-ethyl]acrylamide Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C(CO)NC(=O)C=CC3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H](CO)NC(=O)C=CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H28N4O4/c1-33-23-9-5-4-8-22(23)28-12-14-29(15-13-28)25(32)21(17-30)27-24(31)11-10-18-16-26-20-7-3-2-6-19(18)20/h2-11,16,21,26,30H,12-15,17H2,1H3,(H,27,31)/t21-/m0/s1