2-chloranyl-N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide CAS Name: 2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]benzamide Formula: C26H25ClN6O2 MolecularWeight: 488.9687

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C26H25ClN6O2/c27-21-8-3-1-7-20(21)24(34)31-23(16-18-17-30-22-9-4-2-6-19(18)22)25(35)32-12-14-33(15-13-32)26-28-10-5-11-29-26/h1-11,17,23,30H,12-16H2,(H,31,34)/t23-/m0/s1