2-[1-[(3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-[(3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-4-piperidyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[1-[(3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-4-piperidinyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-4-piperidyl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C(=O)N2CCC(CC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(N1)C(=O)N2CCC(CC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C22H30N6O2/c1-16-14-17(2)25-20(16)21(30)27-8-4-18(5-9-27)15-19(29)26-10-12-28(13-11-26)22-23-6-3-7-24-22/h3,6-7,14,18,25H,4-5,8-13,15H2,1-2H3