1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-carbonitrile

Systemtic Name: 1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-carbonitrile Openeye Name: 1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazole-4-carbonitrile CAS Name: 1-[4-(1-piperazinyl)-4-(2-pyrimidinyl)butyl]-4-pyrazolecarbonitrile IUPAC Name: 1-(4-piperazin-1-yl-4-pyrimidin-2-ylbutyl)pyrazole-4-carbonitrile Traditional Name: 1-[4-piperazino-4-(2-pyrimidyl)butyl]pyrazole-4-carbonitrile Formula: C16H21N7 MolecularWeight: 311.38484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CCCN2C=C(C=N2)C#N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1)C(CCCN2C=C(C=N2)C#N)C3=NC=CC=N3

InChI

InChI=1S/C16H21N7/c17-11-14-12-21-23(13-14)8-1-3-15(16-19-4-2-5-20-16)22-9-6-18-7-10-22/h2,4-5,12-13,15,18H,1,3,6-10H2