2-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]-1-piperazin-1-yl-butyl]pyrimidine

Systemtic Name: 2-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]-1-piperazin-1-yl-butyl]pyrimidine Openeye Name: 2-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]-1-piperazin-1-yl-butyl]pyrimidine CAS Name: 2-[4-[4-(4-methoxyphenyl)-1-pyrazolyl]-1-(1-piperazinyl)butyl]pyrimidine IUPAC Name: 2-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]-1-piperazin-1-ylbutyl]pyrimidine Traditional Name: 2-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]-1-piperazino-butyl]pyrimidine Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN(N=C2)CCCC(C3=NC=CC=N3)N4CCNCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN(N=C2)CCCC(C3=NC=CC=N3)N4CCNCC4

InChI

InChI=1S/C22H28N6O/c1-29-20-7-5-18(6-8-20)19-16-26-28(17-19)13-2-4-21(22-24-9-3-10-25-22)27-14-11-23-12-15-27/h3,5-10,16-17,21,23H,2,4,11-15H2,1H3