2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[cyclopropyl-[(4-isopropylphenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[cyclopropyl-(4-isopropylbenzyl)amino]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4CC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4CC4

InChI

InChI=1S/C23H31N5O/c1-18(2)20-6-4-19(5-7-20)16-28(21-8-9-21)17-22(29)26-12-14-27(15-13-26)23-24-10-3-11-25-23/h3-7,10-11,18,21H,8-9,12-17H2,1-2H3