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

Systemtic Name: 2-[4-(4-phenylpyrazol-1-yl)-1-piperazin-1-yl-butyl]pyrimidine Openeye Name: 2-[4-(4-phenylpyrazol-1-yl)-1-piperazin-1-yl-butyl]pyrimidine CAS Name: 2-[4-(4-phenyl-1-pyrazolyl)-1-(1-piperazinyl)butyl]pyrimidine IUPAC Name: 2-[4-(4-phenylpyrazol-1-yl)-1-piperazin-1-ylbutyl]pyrimidine Traditional Name: 2-[4-(4-phenylpyrazol-1-yl)-1-piperazino-butyl]pyrimidine Formula: C21H26N6 MolecularWeight: 362.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CCCN2C=C(C=N2)C3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1)C(CCCN2C=C(C=N2)C3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C21H26N6/c1-2-6-18(7-3-1)19-16-25-27(17-19)13-4-8-20(21-23-9-5-10-24-21)26-14-11-22-12-15-26/h1-3,5-7,9-10,16-17,20,22H,4,8,11-15H2