4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

Systemtic Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide Openeye Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-N-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)-N-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]benzamide Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NCC(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NCC(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C23H26N6O2/c1-17-4-5-18(2)29(17)20-8-6-19(7-9-20)22(31)26-16-21(30)27-12-14-28(15-13-27)23-24-10-3-11-25-23/h3-11H,12-16H2,1-2H3,(H,26,31)