1-(4-isocyanatophenyl)-4-pyridin-3-yl-piperazine

Systemtic Name: 1-(4-isocyanatophenyl)-4-pyridin-3-yl-piperazine Openeye Name: 1-(4-isocyanatophenyl)-4-(3-pyridyl)piperazine CAS Name: 1-(4-isocyanatophenyl)-4-(3-pyridinyl)piperazine IUPAC Name: 1-(4-isocyanatophenyl)-4-pyridin-3-ylpiperazine Traditional Name: 1-(4-isocyanatophenyl)-4-(3-pyridyl)piperazine Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)N=C=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)N=C=O)C3=CN=CC=C3

InChI

InChI=1S/C16H16N4O/c21-13-18-14-3-5-15(6-4-14)19-8-10-20(11-9-19)16-2-1-7-17-12-16/h1-7,12H,8-11H2