ethyl 1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-carboxylate CAS Name: 1-[4-(1-piperazinyl)-4-(2-pyrimidinyl)butyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-piperazin-1-yl-4-pyrimidin-2-ylbutyl)pyrazole-4-carboxylate Traditional Name: 1-[4-piperazino-4-(2-pyrimidyl)butyl]pyrazole-4-carboxylic acid ethyl ester Formula: C18H26N6O2 MolecularWeight: 358.43804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1)CCCC(C2=NC=CC=N2)N3CCNCC3

Isomeric SMILES

CCOC(=O)C1=CN(N=C1)CCCC(C2=NC=CC=N2)N3CCNCC3

InChI

InChI=1S/C18H26N6O2/c1-2-26-18(25)15-13-22-24(14-15)10-3-5-16(17-20-6-4-7-21-17)23-11-8-19-9-12-23/h4,6-7,13-14,16,19H,2-3,5,8-12H2,1H3