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

Systemtic Name: 3-(1H-indol-3-yl)-N-[(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]prop-2-enamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-3-(1H-indol-3-yl)prop-2-enamide CAS Name: N-[(2S)-3-hydroxy-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)-2-propenamide IUPAC Name: N-[(2S)-3-hydroxy-1-[4-(4-nitrophenyl)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-1-methylol-2-[4-(4-nitrophenyl)piperazino]ethyl]acrylamide Formula: C24H25N5O5 MolecularWeight: 463.4858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(CO)NC(=O)C=CC3=CNC4=CC=CC=C43

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O5/c30-16-22(26-23(31)10-5-17-15-25-21-4-2-1-3-20(17)21)24(32)28-13-11-27(12-14-28)18-6-8-19(9-7-18)29(33)34/h1-10,15,22,25,30H,11-14,16H2,(H,26,31)/t22-/m0/s1